N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H31N3O2 — CID 113159467

IUPACN-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-17-7-6-10-20(15-17)22-11-13-23(14-12-22)21(26)16-24(18(2)25)19-8-4-3-5-9-19/h6-7,10,15,19H,3-5,8-9,11-14,16H2,1-2H3
InChIKeyOCBWBLRSEIAGLB-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.82
Rot. Bonds4

About N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113159467) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113159467
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-17-7-6-10-20(15-17)22-11-13-23(14-12-22)21(26)16-24(18(2)25)19-8-4-3-5-9-19/h6-7,10,15,19H,3-5,8-9,11-14,16H2,1-2H3
InChIKeyOCBWBLRSEIAGLB-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113176706
N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113159467) is N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is OCBWBLRSEIAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17-7-6-10-20(15-17)22-11-13-23(14-12-22)21(26)16-24(18(2)25)19-8-4-3-5-9-19/h6-7,10,15,19H,3-5,8-9,11-14,16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113159467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).