1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid

C14H16ClNO3 — CID 107069786

IUPAC1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C14H16ClNO3/c1-9-5-4-8-16(12(9)14(18)19)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,18,19)
InChIKeyIFSAFOKVLQLDBP-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds2

About 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid

1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069786) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107069786
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C14H16ClNO3/c1-9-5-4-8-16(12(9)14(18)19)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,18,19)
InChIKeyIFSAFOKVLQLDBP-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069645
1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810
1-(2-chloro-4,5-difluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069594
1-(3,4-dichlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069840
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
1-(2,4-dichlorobenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775267
1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938402
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
3-methyl-1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 107069604

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid (CID 107069786) is 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)c2ccccc2Cl)C1C(=O)O.
What is the InChIKey of 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is IFSAFOKVLQLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-5-4-8-16(12(9)14(18)19)13(17)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,18,19).
What are the key properties of 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid?
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).