1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide

C25H35N3O — CID 142137849

IUPAC1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
SMILESNN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1
InChIInChI=1S/C25H35N3O/c26-28-19-9-16-23(20-28)25(29)27-24(17-7-14-21-10-3-1-4-11-21)18-8-15-22-12-5-2-6-13-22/h1-6,10-13,23-24H,7-9,14-20,26H2,(H,27,29)
InChIKeyJGAYEWUFLNJHTA-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.10
Rot. Bonds10

About 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide

1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide (PubChem CID 142137849) has the molecular formula C25H35N3O and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
PubChem CID142137849
Molecular FormulaC25H35N3O
Molecular Weight393.57 g/mol
Exact Mass393.28
IUPAC Name1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
SMILESNN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1
InChIInChI=1S/C25H35N3O/c26-28-19-9-16-23(20-28)25(29)27-24(17-7-14-21-10-3-1-4-11-21)18-8-15-22-12-5-2-6-13-22/h1-6,10-13,23-24H,7-9,14-20,26H2,(H,27,29)
InChIKeyJGAYEWUFLNJHTA-UHFFFAOYSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
CID 18727466
3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide
CID 142137848
N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
CID 18727492
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
CID 59898570
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide (CID 142137849) is 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide is NN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1.
What is the InChIKey of 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide?
The InChIKey is JGAYEWUFLNJHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c26-28-19-9-16-23(20-28)25(29)27-24(17-7-14-21-10-3-1-4-11-21)18-8-15-22-12-5-2-6-13-22/h1-6,10-13,23-24H,7-9,14-20,26H2,(H,27,29).
What are the key properties of 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide?
1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide has a molecular weight of 393.57 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 142137849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).