1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

C18H22N4O2 — CID 56816771

IUPAC1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17-11-19-15-3-1-2-4-16(15)22(17)13-18(24)21-9-7-20(8-10-21)12-14-5-6-14/h1-4,11,14H,5-10,12-13H2
InChIKeyWBVBYCNUDVUTGL-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.95
Rot. Bonds4

About 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 56816771) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID56816771
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17-11-19-15-3-1-2-4-16(15)22(17)13-18(24)21-9-7-20(8-10-21)12-14-5-6-14/h1-4,11,14H,5-10,12-13H2
InChIKeyWBVBYCNUDVUTGL-UHFFFAOYSA-N
XLogP0.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997
1-[2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 55868759
1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 32529717
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
CID 56819209
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
CID 72919012
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 120949700

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 56816771) is 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is WBVBYCNUDVUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-11-19-15-3-1-2-4-16(15)22(17)13-18(24)21-9-7-20(8-10-21)12-14-5-6-14/h1-4,11,14H,5-10,12-13H2.
What are the key properties of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 326.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 56816771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).