1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H15ClN2O3 — CID 16777736

IUPAC1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H15ClN2O3/c14-10-4-1-5-11(7-10)15-13(19)16-6-2-3-9(8-16)12(17)18/h1,4-5,7,9H,2-3,6,8H2,(H,15,19)(H,17,18)
InChIKeyBEFQHCAQWJNMHO-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.67
Rot. Bonds2

About 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 16777736) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID16777736
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H15ClN2O3/c14-10-4-1-5-11(7-10)15-13(19)16-6-2-3-9(8-16)12(17)18/h1,4-5,7,9H,2-3,6,8H2,(H,15,19)(H,17,18)
InChIKeyBEFQHCAQWJNMHO-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 16777736) is 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BEFQHCAQWJNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-4-1-5-11(7-10)15-13(19)16-6-2-3-9(8-16)12(17)18/h1,4-5,7,9H,2-3,6,8H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 16777736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).