1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid

C17H19ClN2O4 — CID 119137739

IUPAC1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN2O4/c18-12-4-6-13(7-5-12)20-10-11(9-15(20)21)16(22)19-8-2-1-3-14(19)17(23)24/h4-7,11,14H,1-3,8-10H2,(H,23,24)
InChIKeyDLXLPNQTOAPWAS-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.16
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid

1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 119137739) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID119137739
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN2O4/c18-12-4-6-13(7-5-12)20-10-11(9-15(20)21)16(22)19-8-2-1-3-14(19)17(23)24/h4-7,11,14H,1-3,8-10H2,(H,23,24)
InChIKeyDLXLPNQTOAPWAS-UHFFFAOYSA-N
XLogP2.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid (CID 119137739) is 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is DLXLPNQTOAPWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c18-12-4-6-13(7-5-12)20-10-11(9-15(20)21)16(22)19-8-2-1-3-14(19)17(23)24/h4-7,11,14H,1-3,8-10H2,(H,23,24).
What are the key properties of 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 350.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119137739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).