lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine

C55H69LiN6O6 — CID 159923892

IUPAClithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine
SMILESNCCc1ccccc1.O=C(NCCCCc1ccccc1)C1CCCN(C[C@@H](O)CCc2cccc3ncccc23)C1.O=C([O-])C1CCCN(C[C@@H](O)COc2cccc3ncccc23)C1.[Li+]
InChIInChI=1S/C29H37N3O2.C18H22N2O4.C8H11N.Li/c33-26(17-16-24-12-6-15-28-27(24)14-7-19-30-28)22-32-20-8-13-25(21-32)29(34)31-18-5-4-11-23-9-2-1-3-10-23;21-14(11-20-9-3-4-13(10-20)18(22)23)12-24-17-7-1-6-16-15(17)5-2-8-19-16;9-7-6-8-4-2-1-3-5-8;/h1-3,6-7,9-10,12,14-15,19,25-26,33H,4-5,8,11,13,16-18,20-22H2,(H,31,34);1-2,5-8,13-14,21H,3-4,9-12H2,(H,22,23);1-5H,6-7,9H2;/q;;;+1/p-1/t25?,26-;13?,14-;;/m01../s1
InChIKeyNYTLNKDTMNAQHT-SJZTXJGXSA-M
MW917.13 g/mol
LogP3.01
Rot. Bonds19

About lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine

lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine (PubChem CID 159923892) has the molecular formula C55H69LiN6O6 and a molecular weight of 917.13 g/mol. Its IUPAC name is lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine.

Molecular Properties

Compound Namelithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine
PubChem CID159923892
Molecular FormulaC55H69LiN6O6
Molecular Weight917.13 g/mol
Exact Mass916.54
IUPAC Namelithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine
SMILESNCCc1ccccc1.O=C(NCCCCc1ccccc1)C1CCCN(C[C@@H](O)CCc2cccc3ncccc23)C1.O=C([O-])C1CCCN(C[C@@H](O)COc2cccc3ncccc23)C1.[Li+]
InChIInChI=1S/C29H37N3O2.C18H22N2O4.C8H11N.Li/c33-26(17-16-24-12-6-15-28-27(24)14-7-19-30-28)22-32-20-8-13-25(21-32)29(34)31-18-5-4-11-23-9-2-1-3-10-23;21-14(11-20-9-3-4-13(10-20)18(22)23)12-24-17-7-1-6-16-15(17)5-2-8-19-16;9-7-6-8-4-2-1-3-5-8;/h1-3,6-7,9-10,12,14-15,19,25-26,33H,4-5,8,11,13,16-18,20-22H2,(H,31,34);1-2,5-8,13-14,21H,3-4,9-12H2,(H,22,23);1-5H,6-7,9H2;/q;;;+1/p-1/t25?,26-;13?,14-;;/m01../s1
InChIKeyNYTLNKDTMNAQHT-SJZTXJGXSA-M
XLogP3.01
TPSA177.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.13
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide
CID 161273194
N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 23531927
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
CID 10212289
N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline
CID 159398368
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-(4-phenylbutyl)piperidine-3-carboxamide
CID 11260308
1-[4-[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]piperazin-1-yl]-5-phenyl-2-(3-phenylpropyl)pentan-1-one;5-(oxiran-2-ylmethoxy)quinoline;5-phenyl-2-(3-phenylpropyl)-1-(4-piperidin-4-ylpiperazin-1-yl)pentan-1-one
CID 157441573
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
lithium;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxylate;[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;methane;1-(2-methylphenyl)piperazine;hydrochloride
CID 160831083
N-(1,7-diphenylheptan-4-yl)-2-[4-[(2R)-2-ethoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetamide
CID 142137863

Frequently Asked Questions

What is the IUPAC name of lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine?
The IUPAC name of lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine (CID 159923892) is lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine.
What is the SMILES notation for lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine?
The canonical SMILES for lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine is NCCc1ccccc1.O=C(NCCCCc1ccccc1)C1CCCN(C[C@@H](O)CCc2cccc3ncccc23)C1.O=C([O-])C1CCCN(C[C@@H](O)COc2cccc3ncccc23)C1.[Li+].
What is the InChIKey of lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine?
The InChIKey is NYTLNKDTMNAQHT-SJZTXJGXSA-M. The full InChI is InChI=1S/C29H37N3O2.C18H22N2O4.C8H11N.Li/c33-26(17-16-24-12-6-15-28-27(24)14-7-19-30-28)22-32-20-8-13-25(21-32)29(34)31-18-5-4-11-23-9-2-1-3-10-23;21-14(11-20-9-3-4-13(10-20)18(22)23)12-24-17-7-1-6-16-15(17)5-2-8-19-16;9-7-6-8-4-2-1-3-5-8;/h1-3,6-7,9-10,12,14-15,19,25-26,33H,4-5,8,11,13,16-18,20-22H2,(H,31,34);1-2,5-8,13-14,21H,3-4,9-12H2,(H,22,23);1-5H,6-7,9H2;/q;;;+1/p-1/t25?,26-;13?,14-;;/m01../s1.
What are the key properties of lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine?
lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine has a molecular weight of 917.13 g/mol, XLogP of 3.01, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[(2S)-2-hydroxy-4-quinolin-5-ylbutyl]-N-(4-phenylbutyl)piperidine-3-carboxamide;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-3-carboxylate;2-phenylethanamine is sourced from PubChem (CID 159923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).