2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C21H27N5O2 — CID 51255754

IUPAC2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2nc1C
InChIInChI=1S/C21H27N5O2/c1-15-16(2)23-19-13-17(5-6-18(19)22-15)21(28)26-11-9-24(10-12-26)14-20(27)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyHTSUPRRDGYZRJC-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 51255754) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID51255754
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2nc1C
InChIInChI=1S/C21H27N5O2/c1-15-16(2)23-19-13-17(5-6-18(19)22-15)21(28)26-11-9-24(10-12-26)14-20(27)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyHTSUPRRDGYZRJC-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 39457332
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
tert-butyl N-[2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532861
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 51255754) is 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1nc2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2nc1C.
What is the InChIKey of 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is HTSUPRRDGYZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-16(2)23-19-13-17(5-6-18(19)22-15)21(28)26-11-9-24(10-12-26)14-20(27)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 381.48 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 51255754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).