N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide

C38H47N3O2 — CID 142138134

IUPACN-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(CCCOc2cccc3ncccc23)CC1)NC(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C38H47N3O2/c42-38(40-34(18-7-16-31-12-3-1-4-13-31)19-8-17-32-14-5-2-6-15-32)30-33-23-27-41(28-24-33)26-11-29-43-37-22-9-21-36-35(37)20-10-25-39-36/h1-6,9-10,12-15,20-22,25,33-34H,7-8,11,16-19,23-24,26-30H2,(H,40,42)
InChIKeyAIEICWOUMBJYKV-UHFFFAOYSA-N
MW577.81 g/mol
LogP7.64
Rot. Bonds16

About N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide

N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide (PubChem CID 142138134) has the molecular formula C38H47N3O2 and a molecular weight of 577.81 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
PubChem CID142138134
Molecular FormulaC38H47N3O2
Molecular Weight577.81 g/mol
Exact Mass577.37
IUPAC NameN-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(CCCOc2cccc3ncccc23)CC1)NC(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C38H47N3O2/c42-38(40-34(18-7-16-31-12-3-1-4-13-31)19-8-17-32-14-5-2-6-15-32)30-33-23-27-41(28-24-33)26-11-29-43-37-22-9-21-36-35(37)20-10-25-39-36/h1-6,9-10,12-15,20-22,25,33-34H,7-8,11,16-19,23-24,26-30H2,(H,40,42)
InChIKeyAIEICWOUMBJYKV-UHFFFAOYSA-N
XLogP7.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.81
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
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)-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
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)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
CID 10212289
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
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
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
2-[cyano-[2-[2-[ethyl-(2-hydroxy-3-quinolin-5-yloxypropyl)amino]ethyl-methylamino]acetyl]amino]-N-(1,7-diphenylheptan-4-yl)acetamide
CID 142137817

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide (CID 142138134) is N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide is O=C(CC1CCN(CCCOc2cccc3ncccc23)CC1)NC(CCCc1ccccc1)CCCc1ccccc1.
What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide?
The InChIKey is AIEICWOUMBJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O2/c42-38(40-34(18-7-16-31-12-3-1-4-13-31)19-8-17-32-14-5-2-6-15-32)30-33-23-27-41(28-24-33)26-11-29-43-37-22-9-21-36-35(37)20-10-25-39-36/h1-6,9-10,12-15,20-22,25,33-34H,7-8,11,16-19,23-24,26-30H2,(H,40,42).
What are the key properties of N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide?
N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide has a molecular weight of 577.81 g/mol, XLogP of 7.64, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 142138134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).