3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid

C22H24N2O4 — CID 120536874

IUPAC3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c25-20(26)14-13-19-8-4-5-15-24(19)22(28)17-11-9-16(10-12-17)21(27)23-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,27)(H,25,26)
InChIKeyATZCLVFKELJFOB-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.80
Rot. Bonds6

About 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid

3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid (PubChem CID 120536874) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
PubChem CID120536874
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c25-20(26)14-13-19-8-4-5-15-24(19)22(28)17-11-9-16(10-12-17)21(27)23-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,27)(H,25,26)
InChIKeyATZCLVFKELJFOB-UHFFFAOYSA-N
XLogP3.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[(2S)-1-[4-[(carbamoylamino)methyl]benzoyl]piperidin-2-yl]propanoic acid
CID 125118220
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
3-[(2S)-1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidin-2-yl]propanoic acid
CID 125118118
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid (CID 120536874) is 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid?
The InChIKey is ATZCLVFKELJFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(26)14-13-19-8-4-5-15-24(19)22(28)17-11-9-16(10-12-17)21(27)23-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,27)(H,25,26).
What are the key properties of 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid?
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 120536874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).