2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid

C14H15ClN2O4 — CID 143538428

IUPAC2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C14H15ClN2O4/c15-10-2-1-3-11(6-10)16-14(21)9-4-5-12(18)17(7-9)8-13(19)20/h1-3,6,9H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyIREGZXNXTRQYMP-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.60
Rot. Bonds4

About 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid

2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 143538428) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
PubChem CID143538428
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C14H15ClN2O4/c15-10-2-1-3-11(6-10)16-14(21)9-4-5-12(18)17(7-9)8-13(19)20/h1-3,6,9H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyIREGZXNXTRQYMP-UHFFFAOYSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
CID 143538325
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535
N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
CID 66666944
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
CID 163686162
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
CID 166626879
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid (CID 143538428) is 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid is O=C(O)CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O.
What is the InChIKey of 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is IREGZXNXTRQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-2-1-3-11(6-10)16-14(21)9-4-5-12(18)17(7-9)8-13(19)20/h1-3,6,9H,4-5,7-8H2,(H,16,21)(H,19,20).
What are the key properties of 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid?
2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 310.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 143538428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).