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

C22H31N3O2 — CID 113159653

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-19(26)25(13-12-20-8-4-2-5-9-20)18-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h3,6-8,10-11H,2,4-5,9,12-18H2,1H3
InChIKeyFPCATABLPXFFBY-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.07
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113159653) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID113159653
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-19(26)25(13-12-20-8-4-2-5-9-20)18-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h3,6-8,10-11H,2,4-5,9,12-18H2,1H3
InChIKeyFPCATABLPXFFBY-UHFFFAOYSA-N
XLogP3.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
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]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159665
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113161012
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
CID 113115563
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113163244
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 113159653) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is FPCATABLPXFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-19(26)25(13-12-20-8-4-2-5-9-20)18-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h3,6-8,10-11H,2,4-5,9,12-18H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113159653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).