3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol

C29H41N3O2 — CID 77492778

IUPAC3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC5CCC(O)C5O)CC4)n3)ccc21
InChIInChI=1S/C29H41N3O2/c1-28(2)14-15-29(3,4)22-18-19(8-9-21(22)28)23-6-5-7-26(31-23)32-16-12-20(13-17-32)30-24-10-11-25(33)27(24)34/h5-9,18,20,24-25,27,30,33-34H,10-17H2,1-4H3
InChIKeyFGZUKYBDMKEWHS-UHFFFAOYSA-N
MW463.67 g/mol
LogP4.54
Rot. Bonds4

About 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol

3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol (PubChem CID 77492778) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol
PubChem CID77492778
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC Name3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC5CCC(O)C5O)CC4)n3)ccc21
InChIInChI=1S/C29H41N3O2/c1-28(2)14-15-29(3,4)22-18-19(8-9-21(22)28)23-6-5-7-26(31-23)32-16-12-20(13-17-32)30-24-10-11-25(33)27(24)34/h5-9,18,20,24-25,27,30,33-34H,10-17H2,1-4H3
InChIKeyFGZUKYBDMKEWHS-UHFFFAOYSA-N
XLogP4.54
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.67
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

CID 53251381
CID 53251381
CID 53250264
CID 53250264
CID 53250408
CID 53250408
CID 53250556
CID 53250556
CID 53251218
CID 53251218
CID 53251219
CID 53251219
CID 67247196
CID 67247196
CID 67247220
CID 67247220
CID 67247227
CID 67247227
CID 67247529
CID 67247529
CID 67247657
CID 67247657
CID 67247658
CID 67247658

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol?
The IUPAC name of 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol (CID 77492778) is 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol.
What is the SMILES notation for 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol?
The canonical SMILES for 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC5CCC(O)C5O)CC4)n3)ccc21.
What is the InChIKey of 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol?
The InChIKey is FGZUKYBDMKEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-28(2)14-15-29(3,4)22-18-19(8-9-21(22)28)23-6-5-7-26(31-23)32-16-12-20(13-17-32)30-24-10-11-25(33)27(24)34/h5-9,18,20,24-25,27,30,33-34H,10-17H2,1-4H3.
What are the key properties of 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol?
3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol has a molecular weight of 463.67 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]amino]cyclopentane-1,2-diol is sourced from PubChem (CID 77492778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).