4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C21H27N5O2 — CID 108763854

IUPAC4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C21H27N5O2/c1-14(2)26-13-16(12-19(26)27)21(28)25-10-8-24(9-11-25)20-15(3)22-17-6-4-5-7-18(17)23-20/h4-7,14,16H,8-13H2,1-3H3
InChIKeyYDSZXIORQCZFSX-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.84
Rot. Bonds3

About 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 108763854) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID108763854
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C21H27N5O2/c1-14(2)26-13-16(12-19(26)27)21(28)25-10-8-24(9-11-25)20-15(3)22-17-6-4-5-7-18(17)23-20/h4-7,14,16H,8-13H2,1-3H3
InChIKeyYDSZXIORQCZFSX-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 108741197
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 108763854) is 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is Cc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is YDSZXIORQCZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(2)26-13-16(12-19(26)27)21(28)25-10-8-24(9-11-25)20-15(3)22-17-6-4-5-7-18(17)23-20/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 108763854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).