cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone

C18H26N2O — CID 110413099

IUPACcyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14-12-19(18(21)16-8-6-7-9-16)13-15(2)20(14)17-10-4-3-5-11-17/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3
InChIKeyJZSRLYSHESTXSH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.30
Rot. Bonds2

About cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone

cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone (PubChem CID 110413099) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
PubChem CID110413099
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14-12-19(18(21)16-8-6-7-9-16)13-15(2)20(14)17-10-4-3-5-11-17/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3
InChIKeyJZSRLYSHESTXSH-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
CID 110662572
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
[(3R,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclopentylmethanone;hydrochloride
CID 171711431
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone?
The IUPAC name of cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone (CID 110413099) is cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone is CC1CN(C(=O)C2CCCC2)CC(C)N1c1ccccc1.
What is the InChIKey of cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone?
The InChIKey is JZSRLYSHESTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-12-19(18(21)16-8-6-7-9-16)13-15(2)20(14)17-10-4-3-5-11-17/h3-5,10-11,14-16H,6-9,12-13H2,1-2H3.
What are the key properties of cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone?
cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110413099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).