1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid

C13H14ClNO3 — CID 91812161

IUPAC1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)8-15-11(13(17)18)5-2-6-12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)
InChIKeyLZBFICIPNPHTBU-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.31
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid

1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid (PubChem CID 91812161) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
PubChem CID91812161
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)8-15-11(13(17)18)5-2-6-12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)
InChIKeyLZBFICIPNPHTBU-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
1-benzyl-N-[(2,5-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 25015841
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67094985
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
1-benzyl-6-methoxypiperidin-2-one
CID 10036374

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid (CID 91812161) is 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid is O=C(O)C1CCCC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid?
The InChIKey is LZBFICIPNPHTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)8-15-11(13(17)18)5-2-6-12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,17,18).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid?
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 91812161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).