1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone

C17H30N2O — CID 177358197

IUPAC1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(N2CCN(C3CC(C)C3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-13-11-17(12-13)19-9-7-18(8-10-19)16-5-3-15(4-6-16)14(2)20/h13,15-17H,3-12H2,1-2H3
InChIKeySSIOBYQOYSNQKV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.55
Rot. Bonds3

About 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone

1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone (PubChem CID 177358197) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
PubChem CID177358197
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(N2CCN(C3CC(C)C3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-13-11-17(12-13)19-9-7-18(8-10-19)16-5-3-15(4-6-16)14(2)20/h13,15-17H,3-12H2,1-2H3
InChIKeySSIOBYQOYSNQKV-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone (CID 177358197) is 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone is CC(=O)C1CCC(N2CCN(C3CC(C)C3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone?
The InChIKey is SSIOBYQOYSNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-11-17(12-13)19-9-7-18(8-10-19)16-5-3-15(4-6-16)14(2)20/h13,15-17H,3-12H2,1-2H3.
What are the key properties of 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone?
1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone has a molecular weight of 278.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone is sourced from PubChem (CID 177358197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).