4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide

C17H22N4O3 — CID 175657009

IUPAC4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C(C(N)=O)C1
InChIInChI=1S/C17H22N4O3/c1-19-8-9-21(14(11-19)16(18)23)17(24)12-4-2-5-13(10-12)20-7-3-6-15(20)22/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,18,23)
InChIKeyIYVNUASIPBQPRJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.05
Rot. Bonds3

About 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide

4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide (PubChem CID 175657009) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
PubChem CID175657009
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C(C(N)=O)C1
InChIInChI=1S/C17H22N4O3/c1-19-8-9-21(14(11-19)16(18)23)17(24)12-4-2-5-13(10-12)20-7-3-6-15(20)22/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,18,23)
InChIKeyIYVNUASIPBQPRJ-UHFFFAOYSA-N
XLogP0.05
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
CID 8950060
1-(3-aminobenzoyl)-4-methylpiperazine-2-carboxylic acid
CID 142180497
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 120965396
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 110304934
1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
CID 110312260

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide?
The IUPAC name of 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide (CID 175657009) is 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide is CN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C(C(N)=O)C1.
What is the InChIKey of 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide?
The InChIKey is IYVNUASIPBQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19-8-9-21(14(11-19)16(18)23)17(24)12-4-2-5-13(10-12)20-7-3-6-15(20)22/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,18,23).
What are the key properties of 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide?
4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 175657009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).