2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

C20H37N3O — CID 71784735

IUPAC2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O/c1-17-15-21(2)12-13-23(17)16-19-8-10-22(11-9-19)20(24)14-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3
InChIKeyGVZSAKIGLXLHSH-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.83
Rot. Bonds4

About 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 71784735) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID71784735
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O/c1-17-15-21(2)12-13-23(17)16-19-8-10-22(11-9-19)20(24)14-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3
InChIKeyGVZSAKIGLXLHSH-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone;formic acid
CID 71784751
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 71784766
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(3-methylphenyl)ethanone;formic acid
CID 71784743
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 71784741
2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 157039323
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (CID 71784735) is 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is CC1CN(C)CCN1CC1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is GVZSAKIGLXLHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-17-15-21(2)12-13-23(17)16-19-8-10-22(11-9-19)20(24)14-18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 335.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71784735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).