cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone

C16H30N2O — CID 113074992

IUPACcyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)8-9-17-10-12-18(13-11-17)16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyPEBYJDVSJNGFDT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds4

About cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone

cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 113074992) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID113074992
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Namecyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)8-9-17-10-12-18(13-11-17)16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyPEBYJDVSJNGFDT-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Pexantel
CID 667497
Cyclohexyl[4-(cyclohexylcarbonyl)piperazino]methanone
CID 235809
[4-(Piperidine-1-carbonyl)cyclohexyl]-piperidin-1-ylmethanone
CID 2238182
Cyclohexyl(4-cyclohexylpiperazin-1-yl)methanone
CID 17249078
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
1-(3-Cyclopentylpropanoyl)-4-(3-methylbutanoyl)piperazine
CID 776717
Cyclohexyl(4-methyl-1,4-diazepan-1-yl)methanone
CID 2373234
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Piperidine, 1-(2-propylvaleryl)-
CID 201026

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 113074992) is cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone is CC(C)CCN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is PEBYJDVSJNGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)8-9-17-10-12-18(13-11-17)16(19)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 266.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113074992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).