1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid

C14H16ClNO3 — CID 114421672

IUPAC1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cccc(Cl)c2)C(C(=O)O)C1
InChIInChI=1S/C14H16ClNO3/c1-9-5-6-16(12(7-9)14(18)19)13(17)10-3-2-4-11(15)8-10/h2-4,8-9,12H,5-7H2,1H3,(H,18,19)
InChIKeyXZEBJMFJPJSUBY-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid

1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421672) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421672
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cccc(Cl)c2)C(C(=O)O)C1
InChIInChI=1S/C14H16ClNO3/c1-9-5-6-16(12(7-9)14(18)19)13(17)10-3-2-4-11(15)8-10/h2-4,8-9,12H,5-7H2,1H3,(H,18,19)
InChIKeyXZEBJMFJPJSUBY-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-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421356
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421066
(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 102787642
1-(2-chloro-4,5-difluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421364
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421672) is 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2cccc(Cl)c2)C(C(=O)O)C1.
What is the InChIKey of 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is XZEBJMFJPJSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-5-6-16(12(7-9)14(18)19)13(17)10-3-2-4-11(15)8-10/h2-4,8-9,12H,5-7H2,1H3,(H,18,19).
What are the key properties of 1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-chlorobenzoyl)-4-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-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).