4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid

C13H15ClN2O3 — CID 66651371

IUPAC4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)15-12(17)9-5-7-16(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,15,17)(H,18,19)
InChIKeyGWIAZOJTUHAJIO-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.67
Rot. Bonds2

About 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid

4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid (PubChem CID 66651371) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
PubChem CID66651371
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)15-12(17)9-5-7-16(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,15,17)(H,18,19)
InChIKeyGWIAZOJTUHAJIO-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

N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
CID 89385474
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid (CID 66651371) is 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is GWIAZOJTUHAJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-1-3-11(4-2-10)15-12(17)9-5-7-16(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,15,17)(H,18,19).
What are the key properties of 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid?
4-[(4-chlorophenyl)carbamoyl]piperidine-1-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 4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66651371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).