N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide

C15H26N3O2+ — CID 8547842

IUPACN-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-9-18(13-6-4-3-5-7-13)15(20)12-17-10-8-16-14(19)11-17/h6H,2-5,7-12H2,1H3,(H,16,19)/p+1
InChIKeyZYIZKAGNKOTPKJ-UHFFFAOYSA-O
MW280.39 g/mol
LogP-0.30
Rot. Bonds5

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

N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide (PubChem CID 8547842) has the molecular formula C15H26N3O2+ and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide
PubChem CID8547842
Molecular FormulaC15H26N3O2+
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-9-18(13-6-4-3-5-7-13)15(20)12-17-10-8-16-14(19)11-17/h6H,2-5,7-12H2,1H3,(H,16,19)/p+1
InChIKeyZYIZKAGNKOTPKJ-UHFFFAOYSA-O
XLogP-0.30
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,6-dioxo-4-(2-piperidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137634599
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809318
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
2H-Azepin-2-one, 1,5,6,7-tetrahydro-3-(1-piperidinyl)-
CID 11321492
2(1H)-Pyridinone, 5,6-dihydro-3-(1-piperidinyl)-
CID 12228553
Hexahydro-2(1h)-quinoxalinone
CID 66803355
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 51970034
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide (CID 8547842) is N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide is CCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide?
The InChIKey is ZYIZKAGNKOTPKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N3O2/c1-2-9-18(13-6-4-3-5-7-13)15(20)12-17-10-8-16-14(19)11-17/h6H,2-5,7-12H2,1H3,(H,16,19)/p+1.
What are the key properties of N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide?
N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide has a molecular weight of 280.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide is sourced from PubChem (CID 8547842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).