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

C14H24N3O2+ — CID 8709857

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18)/p+1
InChIKeySPUFXUNGEPPGOU-UHFFFAOYSA-O
MW266.36 g/mol
LogP-0.69
Rot. Bonds4

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

N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8709857) has the molecular formula C14H24N3O2+ and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8709857
Molecular FormulaC14H24N3O2+
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18)/p+1
InChIKeySPUFXUNGEPPGOU-UHFFFAOYSA-O
XLogP-0.69
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.69
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)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8709857) is N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide is CCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is SPUFXUNGEPPGOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18)/p+1.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 266.36 g/mol, XLogP of -0.69, 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-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8709857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).