4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide

C23H33N3O2 — CID 47016173

IUPAC4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c27-22(25-14-6-1-2-7-15-25)20-12-16-26(17-13-20)23(28)24-21(19-10-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-21H,1-2,6-7,10-17H2,(H,24,28)
InChIKeyPZVVMWMBMWLNBA-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.96
Rot. Bonds4

About 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide

4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 47016173) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
PubChem CID47016173
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c27-22(25-14-6-1-2-7-15-25)20-12-16-26(17-13-20)23(28)24-21(19-10-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-21H,1-2,6-7,10-17H2,(H,24,28)
InChIKeyPZVVMWMBMWLNBA-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide (CID 47016173) is 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide is O=C(NC(c1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is PZVVMWMBMWLNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(25-14-6-1-2-7-15-25)20-12-16-26(17-13-20)23(28)24-21(19-10-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-21H,1-2,6-7,10-17H2,(H,24,28).
What are the key properties of 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide?
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 47016173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).