cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H28N2O — CID 113072857

IUPACcyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)12-16-8-10-17(11-9-16)15(18)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyWSJQFEHCWOUJPI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds3

About cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 113072857) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID113072857
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Namecyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)12-16-8-10-17(11-9-16)15(18)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyWSJQFEHCWOUJPI-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 113072857) is cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is WSJQFEHCWOUJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)12-16-8-10-17(11-9-16)15(18)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 252.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113072857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).