1-(phenylcarbamoyl)piperidine-4-carboxylate

C13H15N2O3- — CID 2113074

IUPAC1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17)/p-1
InChIKeyFQYHUUNCGUFBAM-UHFFFAOYSA-M
MW247.27 g/mol
LogP0.68
Rot. Bonds2

About 1-(phenylcarbamoyl)piperidine-4-carboxylate

1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 2113074) has the molecular formula C13H15N2O3- and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID2113074
Molecular FormulaC13H15N2O3-
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17)/p-1
InChIKeyFQYHUUNCGUFBAM-UHFFFAOYSA-M
XLogP0.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467

Frequently Asked Questions

What is the IUPAC name of 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 2113074) is 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C([O-])C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is FQYHUUNCGUFBAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17)/p-1.
What are the key properties of 1-(phenylcarbamoyl)piperidine-4-carboxylate?
1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 2113074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).