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

C15H26N3O3+ — CID 8709819

IUPACN-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCOCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O3/c1-21-10-9-18(13-5-3-2-4-6-13)15(20)12-17-8-7-16-14(19)11-17/h5H,2-4,6-12H2,1H3,(H,16,19)/p+1
InChIKeyDRBABYUXNOSZRH-UHFFFAOYSA-O
MW296.39 g/mol
LogP-1.07
Rot. Bonds6

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

N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8709819) has the molecular formula C15H26N3O3+ and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8709819
Molecular FormulaC15H26N3O3+
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC NameN-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCOCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C15H25N3O3/c1-21-10-9-18(13-5-3-2-4-6-13)15(20)12-17-8-7-16-14(19)11-17/h5H,2-4,6-12H2,1H3,(H,16,19)/p+1
InChIKeyDRBABYUXNOSZRH-UHFFFAOYSA-O
XLogP-1.07
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
CID 53531645
N-(cyclohexen-1-yl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylacetamide
CID 95352587
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 2224636
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
2-methyl-5-morpholin-4-yl-2,3-dihydro-1H-pyridin-6-one
CID 21137420
N-[2-[4-(cyclohexen-1-yl)piperazin-1-yl]ethyl]acetamide
CID 70289627
4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
CID 70418755
N-(cyclohexen-1-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 70869418
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
3,4-Dimethyl-1,3,6,7,8,8a-hexahydroquinoxalin-2-one
CID 89814581
(6E)-5-ethyl-6-(3-methoxypropylidene)-1-methylpiperazine-2,3-dione
CID 123794122

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8709819) is N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide is COCCN(C(=O)C[NH+]1CCNC(=O)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is DRBABYUXNOSZRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N3O3/c1-21-10-9-18(13-5-3-2-4-6-13)15(20)12-17-8-7-16-14(19)11-17/h5H,2-4,6-12H2,1H3,(H,16,19)/p+1.
What are the key properties of N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 296.39 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8709819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).