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

C14H23N3O2 — CID 8963352

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCC1=CCCCC1
InChIInChI=1S/C14H23N3O2/c18-13(10-17-9-8-16-14(19)11-17)15-7-6-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,15,18)(H,16,19)
InChIKeyDGFJCHCEFIUUCH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.42
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8963352) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8963352
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCC1=CCCCC1
InChIInChI=1S/C14H23N3O2/c18-13(10-17-9-8-16-14(19)11-17)15-7-6-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,15,18)(H,16,19)
InChIKeyDGFJCHCEFIUUCH-UHFFFAOYSA-N
XLogP0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267549
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15997244
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8963352) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C(CN1CCNC(=O)C1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is DGFJCHCEFIUUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13(10-17-9-8-16-14(19)11-17)15-7-6-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8963352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).