1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

C14H17ClN2O3 — CID 43318390

IUPAC1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-11(15)5-2-6-12(9)16-14(20)17-7-3-4-10(8-17)13(18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyJSVFOLRNQKTSGD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.98
Rot. Bonds2

About 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43318390) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43318390
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-11(15)5-2-6-12(9)16-14(20)17-7-3-4-10(8-17)13(18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyJSVFOLRNQKTSGD-UHFFFAOYSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7345960
(3R)-1-[(2,6-dichloro-3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127901
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 43318390) is 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1c(Cl)cccc1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JSVFOLRNQKTSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-11(15)5-2-6-12(9)16-14(20)17-7-3-4-10(8-17)13(18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43318390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).