N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide

C20H35N3O — CID 653009

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)
InChIKeyYDPSJECECBYSPW-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide (PubChem CID 653009) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
PubChem CID653009
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)
InChIKeyYDPSJECECBYSPW-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 6603138
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886517
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-cyclopentylpiperidin-4-yl)methyl)oxalamide
CID 16886772
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-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 45841236
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 45841244
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride
CID 53347014
2-(Octadec-9-enylamino)-1-piperazin-1-ylethanone
CID 54130090
4-(4-Methylidenecyclohexyl)piperazin-2-one
CID 58902675

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide (CID 653009) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide is O=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The InChIKey is YDPSJECECBYSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide has a molecular weight of 333.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide is sourced from PubChem (CID 653009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).