N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide

C37H45N3O3 — CID 12020252

IUPACN-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C[C@@H](O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C37H45N3O3/c41-33(28-43-36-21-9-20-35-34(36)19-10-24-38-35)27-40-25-22-31(23-26-40)37(42)39-32(17-7-15-29-11-3-1-4-12-29)18-8-16-30-13-5-2-6-14-30/h1-6,9-14,19-21,24,31-33,41H,7-8,15-18,22-23,25-28H2,(H,39,42)/t33-/m1/s1
InChIKeyDGFFXBONZCBZTL-MGBGTMOVSA-N
MW579.79 g/mol
LogP6.22
Rot. Bonds15

About N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide

N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide (PubChem CID 12020252) has the molecular formula C37H45N3O3 and a molecular weight of 579.79 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
PubChem CID12020252
Molecular FormulaC37H45N3O3
Molecular Weight579.79 g/mol
Exact Mass579.35
IUPAC NameN-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C[C@@H](O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C37H45N3O3/c41-33(28-43-36-21-9-20-35-34(36)19-10-24-38-35)27-40-25-22-31(23-26-40)37(42)39-32(17-7-15-29-11-3-1-4-12-29)18-8-16-30-13-5-2-6-14-30/h1-6,9-14,19-21,24,31-33,41H,7-8,15-18,22-23,25-28H2,(H,39,42)/t33-/m1/s1
InChIKeyDGFFXBONZCBZTL-MGBGTMOVSA-N
XLogP6.22
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(6-phenylhexanoyl)piperazine-2-carboxamide
CID 59912221
1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
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-(1,7-diphenylheptan-4-yl)-2-[4-[(2R)-2-ethoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetamide
CID 142137863
N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
CID 142138134
4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide
CID 142137858
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide (CID 12020252) is N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide is O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCN(C[C@@H](O)COc2cccc3ncccc23)CC1.
What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide?
The InChIKey is DGFFXBONZCBZTL-MGBGTMOVSA-N. The full InChI is InChI=1S/C37H45N3O3/c41-33(28-43-36-21-9-20-35-34(36)19-10-24-38-35)27-40-25-22-31(23-26-40)37(42)39-32(17-7-15-29-11-3-1-4-12-29)18-8-16-30-13-5-2-6-14-30/h1-6,9-14,19-21,24,31-33,41H,7-8,15-18,22-23,25-28H2,(H,39,42)/t33-/m1/s1.
What are the key properties of N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide?
N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide has a molecular weight of 579.79 g/mol, XLogP of 6.22, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 12020252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).