1-(4-chlorobenzoyl)piperidine-3-carboxylic acid

C13H14ClNO3 — CID 4996830

IUPAC1-(4-chlorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14ClNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKeyDGUQEGBVTIEEKQ-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid

1-(4-chlorobenzoyl)piperidine-3-carboxylic acid (PubChem CID 4996830) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)piperidine-3-carboxylic acid
PubChem CID4996830
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name1-(4-chlorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14ClNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKeyDGUQEGBVTIEEKQ-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid (CID 4996830) is 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid?
The InChIKey is DGUQEGBVTIEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18).
What are the key properties of 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid?
1-(4-chlorobenzoyl)piperidine-3-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 4996830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).