N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide

C15H24N3O2+ — CID 8709831

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)N(C2=CCCCC2)C2CC2)CCN1
InChIInChI=1S/C15H23N3O2/c19-14-10-17(9-8-16-14)11-15(20)18(13-6-7-13)12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,19)/p+1
InChIKeyFKOQFIDBAFFGPN-UHFFFAOYSA-O
MW278.38 g/mol
LogP-0.55
Rot. Bonds4

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8709831) has the molecular formula C15H24N3O2+ and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8709831
Molecular FormulaC15H24N3O2+
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)N(C2=CCCCC2)C2CC2)CCN1
InChIInChI=1S/C15H23N3O2/c19-14-10-17(9-8-16-14)11-15(20)18(13-6-7-13)12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,19)/p+1
InChIKeyFKOQFIDBAFFGPN-UHFFFAOYSA-O
XLogP-0.55
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
Hexahydro-2(1h)-quinoxalinone
CID 66803355
4-Acetyltetrahydroquinoxalin-2-one
CID 129788254
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
(4aR)-1,4,4a,5,6,7-hexahydroquinoxaline-2,3-dione
CID 66936241
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex-3-en-1-yl]acetamide
CID 68272063
1,4,4a,5,6,7-Hexahydroquinoxaline-2,3-dione
CID 68435104
N-cyclohexyl-2-[4-(1,2,3,4-tetrahydropyridin-6-yl)piperidin-1-yl]acetamide
CID 69732565
N-[2-[4-(cyclohexen-1-yl)piperazin-1-yl]ethyl]acetamide
CID 70289627
1-Prop-2-enyl-3,4,4a,5,6,7-hexahydroquinoxalin-2-one
CID 70392243
4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
CID 70418755

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8709831) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide is O=C1C[NH+](CC(=O)N(C2=CCCCC2)C2CC2)CCN1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is FKOQFIDBAFFGPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O2/c19-14-10-17(9-8-16-14)11-15(20)18(13-6-7-13)12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,19)/p+1.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8709831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).