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

C14H16ClNO3 — CID 106741708

IUPAC1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c1-9-8-11(14(18)19)6-7-16(9)13(17)10-2-4-12(15)5-3-10/h2-5,9,11H,6-8H2,1H3,(H,18,19)
InChIKeyWKJVQBARXJTBOM-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds2

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

1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741708) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741708
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c1-9-8-11(14(18)19)6-7-16(9)13(17)10-2-4-12(15)5-3-10/h2-5,9,11H,6-8H2,1H3,(H,18,19)
InChIKeyWKJVQBARXJTBOM-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

2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741789
1-(3-amino-4-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 107813364
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741880
1-(1,3-benzothiazole-6-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741825
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
2-methyl-1-(3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 106741869
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742890
1-(3-bromo-5-fluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741784

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid (CID 106741708) is 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is WKJVQBARXJTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-8-11(14(18)19)6-7-16(9)13(17)10-2-4-12(15)5-3-10/h2-5,9,11H,6-8H2,1H3,(H,18,19).
What are the key properties of 1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
1-(4-chlorobenzoyl)-2-methylpiperidine-4-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-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).