3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid

C15H19ClN2O3 — CID 62216964

IUPAC3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c16-11-4-3-5-12(10-11)17-15(21)18-9-2-1-6-13(18)7-8-14(19)20/h3-5,10,13H,1-2,6-9H2,(H,17,21)(H,19,20)
InChIKeyWCWUNYIGMUMXRK-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.59
Rot. Bonds4

About 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62216964) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62216964
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c16-11-4-3-5-12(10-11)17-15(21)18-9-2-1-6-13(18)7-8-14(19)20/h3-5,10,13H,1-2,6-9H2,(H,17,21)(H,19,20)
InChIKeyWCWUNYIGMUMXRK-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217205
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62216964) is 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is WCWUNYIGMUMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-4-3-5-12(10-11)17-15(21)18-9-2-1-6-13(18)7-8-14(19)20/h3-5,10,13H,1-2,6-9H2,(H,17,21)(H,19,20).
What are the key properties of 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 310.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).