3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid

C15H19ClN2O3 — CID 63081734

IUPAC3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(Cl)cc1N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H19ClN2O3/c16-10-4-6-12(15(17)21)13(9-10)18-8-2-1-3-11(18)5-7-14(19)20/h4,6,9,11H,1-3,5,7-8H2,(H2,17,21)(H,19,20)
InChIKeyQUNMZAKPAOKBNP-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.66
Rot. Bonds5

About 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid

3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid (PubChem CID 63081734) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
PubChem CID63081734
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(Cl)cc1N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H19ClN2O3/c16-10-4-6-12(15(17)21)13(9-10)18-8-2-1-3-11(18)5-7-14(19)20/h4,6,9,11H,1-3,5,7-8H2,(H2,17,21)(H,19,20)
InChIKeyQUNMZAKPAOKBNP-UHFFFAOYSA-N
XLogP2.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
CID 62494147
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
5-chloro-2-[2-(hydroxymethyl)azepan-1-yl]benzenecarbothioamide
CID 116634840
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid (CID 63081734) is 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid is NC(=O)c1ccc(Cl)cc1N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid?
The InChIKey is QUNMZAKPAOKBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-10-4-6-12(15(17)21)13(9-10)18-8-2-1-3-11(18)5-7-14(19)20/h4,6,9,11H,1-3,5,7-8H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid?
3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid has a molecular weight of 310.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63081734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).