2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

C15H19ClN2O3 — CID 79610817

IUPAC2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-2-3-13(12(16)8-10)17-15(21)18-6-4-11(5-7-18)9-14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyOBVXPEWJQROEEE-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.37
Rot. Bonds3

About 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79610817) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79610817
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-2-3-13(12(16)8-10)17-15(21)18-6-4-11(5-7-18)9-14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyOBVXPEWJQROEEE-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79611094
2-[1-[(2-chloro-4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 107809245
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79610817) is 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is Cc1ccc(NC(=O)N2CCC(CC(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is OBVXPEWJQROEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-2-3-13(12(16)8-10)17-15(21)18-6-4-11(5-7-18)9-14(19)20/h2-3,8,11H,4-7,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 310.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79610817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).