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

C15H20N2O3 — CID 62216139

IUPAC3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(N2CCCCC2CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c16-15(20)11-4-6-13(7-5-11)17-10-2-1-3-12(17)8-9-14(18)19/h4-7,12H,1-3,8-10H2,(H2,16,20)(H,18,19)
InChIKeyYQMFWFAYDJMIGH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.01
Rot. Bonds5

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

3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid (PubChem CID 62216139) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
PubChem CID62216139
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(N2CCCCC2CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c16-15(20)11-4-6-13(7-5-11)17-10-2-1-3-12(17)8-9-14(18)19/h4-7,12H,1-3,8-10H2,(H2,16,20)(H,18,19)
InChIKeyYQMFWFAYDJMIGH-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-carbamoylphenyl)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

3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
CID 63081734
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
CID 141153297
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
CID 63758176
3-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 63674267
3-[(2S)-1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidin-2-yl]propanoic acid
CID 125118118
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid (CID 62216139) is 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid is NC(=O)c1ccc(N2CCCCC2CCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid?
The InChIKey is YQMFWFAYDJMIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(20)11-4-6-13(7-5-11)17-10-2-1-3-12(17)8-9-14(18)19/h4-7,12H,1-3,8-10H2,(H2,16,20)(H,18,19).
What are the key properties of 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid?
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).