1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid

C18H22N2O4 — CID 45340369

IUPAC1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1
InChIInChI=1S/C18H22N2O4/c21-16-7-3-8-19(16)11-13-4-1-5-14(10-13)17(22)20-9-2-6-15(12-20)18(23)24/h1,4-5,10,15H,2-3,6-9,11-12H2,(H,23,24)
InChIKeyDGQQVFNOAGTQND-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.75
Rot. Bonds4

About 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid

1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid (PubChem CID 45340369) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
PubChem CID45340369
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1
InChIInChI=1S/C18H22N2O4/c21-16-7-3-8-19(16)11-13-4-1-5-14(10-13)17(22)20-9-2-6-15(12-20)18(23)24/h1,4-5,10,15H,2-3,6-9,11-12H2,(H,23,24)
InChIKeyDGQQVFNOAGTQND-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 124576726
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 55597795
1-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9210040
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
1-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 17453970
1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433
1-[[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 9255772
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid (CID 45340369) is 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1.
What is the InChIKey of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is DGQQVFNOAGTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16-7-3-8-19(16)11-13-4-1-5-14(10-13)17(22)20-9-2-6-15(12-20)18(23)24/h1,4-5,10,15H,2-3,6-9,11-12H2,(H,23,24).
What are the key properties of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 45340369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).