1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

C18H22N2O4 — CID 119137735

IUPAC1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c21-16-10-14(12-19(16)11-13-6-2-1-3-7-13)17(22)20-9-5-4-8-15(20)18(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,23,24)
InChIKeyWVUPBEIMJNSYKE-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.50
Rot. Bonds4

About 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119137735) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID119137735
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c21-16-10-14(12-19(16)11-13-6-2-1-3-7-13)17(22)20-9-5-4-8-15(20)18(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,23,24)
InChIKeyWVUPBEIMJNSYKE-UHFFFAOYSA-N
XLogP1.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
(4S)-4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 8849590
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215864
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
methyl (2S,3aS,7aS)-1-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 100897868
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (CID 119137735) is 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WVUPBEIMJNSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16-10-14(12-19(16)11-13-6-2-1-3-7-13)17(22)20-9-5-4-8-15(20)18(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,23,24).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119137735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).