1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide

C20H27N3O3 — CID 55408311

IUPAC1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C20H27N3O3/c24-18-9-5-2-6-12-23(18)15-19(25)22-13-10-16(11-14-22)20(26)21-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,26)
InChIKeyRYTMTARTMODUCE-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55408311) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55408311
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C20H27N3O3/c24-18-9-5-2-6-12-23(18)15-19(25)22-13-10-16(11-14-22)20(26)21-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,26)
InChIKeyRYTMTARTMODUCE-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 94420345
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 75399691
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 55408311) is 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCCCCC2=O)CC1.
What is the InChIKey of 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is RYTMTARTMODUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18-9-5-2-6-12-23(18)15-19(25)22-13-10-16(11-14-22)20(26)21-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,26).
What are the key properties of 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55408311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).