(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide

C163H244N18O13 — CID 157260361

IUPAC(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@H]5CCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@H]5CCC[C@@H]5O)CC4)n3)ccc21
InChIInChI=1S/C34H49N3O3.C34H51N3O2.C32H48N4O3.C32H50N4O2.C31H46N4O3/c1-33(2)17-18-34(3,4)28-23-24(13-14-27(28)33)29-10-8-12-31(35-29)36-20-15-25(16-21-36)37(19-5-6-22-38)32(40)26-9-7-11-30(26)39;1-33(2)17-18-34(3,4)29-23-25(13-14-28(29)33)30-10-8-12-32(35-30)36-20-15-27(16-21-36)37(19-5-6-22-38)24-26-9-7-11-31(26)39;1-31(2)15-16-32(3,4)26-22-23(10-11-25(26)31)28-8-7-9-29(34-28)35-18-12-24(13-19-35)36(17-5-6-20-37)30(39)27(33)14-21-38;1-31(2)15-16-32(3,4)28-22-24(10-11-27(28)31)29-8-7-9-30(34-29)35-18-12-26(13-19-35)36(17-5-6-20-37)23-25(33)14-21-38;1-30(2)14-15-31(3,4)25-20-22(10-11-24(25)30)27-8-7-9-28(33-27)34-17-12-23(13-18-34)35(16-5-6-19-36)29(38)26(32)21-37/h8,10,12-14,23,25-26,30,38-39H,5-7,9,11,15-22H2,1-4H3;8,10,12-14,23,26-27,31,38-39H,5-7,9,11,15-22,24H2,1-4H3;7-11,22,24,27,37-38H,5-6,12-21,33H2,1-4H3;7-11,22,25-26,37-38H,5-6,12-21,23,33H2,1-4H3;7-11,20,23,26,36-37H,5-6,12-19,21,32H2,1-4H3/t26-,30-;26-,31+;27-;25-;26-/m01000/s1
InChIKeyAXJOCQYOGSNHIY-GJVZVHCSSA-N
MW2663.86 g/mol
LogP25.35
Rot. Bonds47

About (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide

(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 157260361) has the molecular formula C163H244N18O13 and a molecular weight of 2663.86 g/mol. Its IUPAC name is (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID157260361
Molecular FormulaC163H244N18O13
Molecular Weight2663.86 g/mol
Exact Mass2661.90
IUPAC Name(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@H]5CCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@H]5CCC[C@@H]5O)CC4)n3)ccc21
InChIInChI=1S/C34H49N3O3.C34H51N3O2.C32H48N4O3.C32H50N4O2.C31H46N4O3/c1-33(2)17-18-34(3,4)28-23-24(13-14-27(28)33)29-10-8-12-31(35-29)36-20-15-25(16-21-36)37(19-5-6-22-38)32(40)26-9-7-11-30(26)39;1-33(2)17-18-34(3,4)29-23-25(13-14-28(29)33)30-10-8-12-32(35-30)36-20-15-27(16-21-36)37(19-5-6-22-38)24-26-9-7-11-31(26)39;1-31(2)15-16-32(3,4)26-22-23(10-11-25(26)31)28-8-7-9-29(34-28)35-18-12-24(13-19-35)36(17-5-6-20-37)30(39)27(33)14-21-38;1-31(2)15-16-32(3,4)28-22-24(10-11-27(28)31)29-8-7-9-30(34-29)35-18-12-26(13-19-35)36(17-5-6-20-37)23-25(33)14-21-38;1-30(2)14-15-31(3,4)25-20-22(10-11-24(25)30)27-8-7-9-28(33-27)34-17-12-23(13-18-34)35(16-5-6-19-36)29(38)26(32)21-37/h8,10,12-14,23,25-26,30,38-39H,5-7,9,11,15-22H2,1-4H3;8,10,12-14,23,26-27,31,38-39H,5-7,9,11,15-22,24H2,1-4H3;7-11,22,24,27,37-38H,5-6,12-21,33H2,1-4H3;7-11,22,25-26,37-38H,5-6,12-21,23,33H2,1-4H3;7-11,20,23,26,36-37H,5-6,12-19,21,32H2,1-4H3/t26-,30-;26-,31+;27-;25-;26-/m01000/s1
InChIKeyAXJOCQYOGSNHIY-GJVZVHCSSA-N
XLogP25.35
TPSA428.42 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds47
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002663.86
LogP ≤ 525.35
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide (CID 157260361) is (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C(=O)[C@H]5CCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N(CCCCO)C[C@H]5CCC[C@@H]5O)CC4)n3)ccc21.
What is the InChIKey of (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is AXJOCQYOGSNHIY-GJVZVHCSSA-N. The full InChI is InChI=1S/C34H49N3O3.C34H51N3O2.C32H48N4O3.C32H50N4O2.C31H46N4O3/c1-33(2)17-18-34(3,4)28-23-24(13-14-27(28)33)29-10-8-12-31(35-29)36-20-15-25(16-21-36)37(19-5-6-22-38)32(40)26-9-7-11-30(26)39;1-33(2)17-18-34(3,4)29-23-25(13-14-28(29)33)30-10-8-12-32(35-30)36-20-15-27(16-21-36)37(19-5-6-22-38)24-26-9-7-11-31(26)39;1-31(2)15-16-32(3,4)26-22-23(10-11-25(26)31)28-8-7-9-29(34-28)35-18-12-24(13-19-35)36(17-5-6-20-37)30(39)27(33)14-21-38;1-31(2)15-16-32(3,4)28-22-24(10-11-27(28)31)29-8-7-9-30(34-29)35-18-12-26(13-19-35)36(17-5-6-20-37)23-25(33)14-21-38;1-30(2)14-15-31(3,4)25-20-22(10-11-24(25)30)27-8-7-9-28(33-27)34-17-12-23(13-18-34)35(16-5-6-19-36)29(38)26(32)21-37/h8,10,12-14,23,25-26,30,38-39H,5-7,9,11,15-22H2,1-4H3;8,10,12-14,23,26-27,31,38-39H,5-7,9,11,15-22,24H2,1-4H3;7-11,22,24,27,37-38H,5-6,12-21,33H2,1-4H3;7-11,22,25-26,37-38H,5-6,12-21,23,33H2,1-4H3;7-11,20,23,26,36-37H,5-6,12-19,21,32H2,1-4H3/t26-,30-;26-,31+;27-;25-;26-/m01000/s1.
What are the key properties of (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide?
(3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 2663.86 g/mol, XLogP of 25.35, 47 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]butan-1-ol;(2S)-2-amino-4-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide;(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide;cis-(1S,2R)-2-[[4-hydroxybutyl-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-hydroxy-N-(4-hydroxybutyl)-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 157260361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).