4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one

C20H24N2O — CID 11098892

IUPAC4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCN(c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C20H24N2O/c23-18-10-8-17(9-11-18)21-12-14-22(15-13-21)20-7-3-5-16-4-1-2-6-19(16)20/h1-7,17H,8-15H2
InChIKeyQYQQOCUSECTRQR-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.47
Rot. Bonds2

About 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one

4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one (PubChem CID 11098892) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one
PubChem CID11098892
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCN(c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C20H24N2O/c23-18-10-8-17(9-11-18)21-12-14-22(15-13-21)20-7-3-5-16-4-1-2-6-19(16)20/h1-7,17H,8-15H2
InChIKeyQYQQOCUSECTRQR-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one (CID 11098892) is 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one is O=C1CCC(N2CCN(c3cccc4ccccc34)CC2)CC1.
What is the InChIKey of 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one?
The InChIKey is QYQQOCUSECTRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-18-10-8-17(9-11-18)21-12-14-22(15-13-21)20-7-3-5-16-4-1-2-6-19(16)20/h1-7,17H,8-15H2.
What are the key properties of 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one?
4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 11098892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).