2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

C17H26N2O3 — CID 71591058

IUPAC2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(C3CCCCC3)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-7-9-19(10-8-18)14-5-3-2-4-6-14/h11,14,21H,2-10,12H2,1H3
InChIKeyFKQYSNNXNLELSX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds3

About 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 71591058) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID71591058
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(C3CCCCC3)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-7-9-19(10-8-18)14-5-3-2-4-6-14/h11,14,21H,2-10,12H2,1H3
InChIKeyFKQYSNNXNLELSX-UHFFFAOYSA-N
XLogP2.10
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one 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

3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one
CID 71591033
3-hydroxy-6-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyran-4-one
CID 53370772
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 53368786
2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 71704296
6-(azepan-1-ylmethyl)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
CID 91640044
3-[(4-cyclopropylpiperazin-1-yl)methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 167807249
3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one
CID 1279756
3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
CID 91823693
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
CID 10603150
CID 10603150
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4-one
CID 96557474
6-acetyl-3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 59630044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (CID 71591058) is 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is Cc1cc(=O)c(O)c(CN2CCN(C3CCCCC3)CC2)o1.
What is the InChIKey of 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is FKQYSNNXNLELSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-11-15(20)17(21)16(22-13)12-18-7-9-19(10-8-18)14-5-3-2-4-6-14/h11,14,21H,2-10,12H2,1H3.
What are the key properties of 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 306.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 71591058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).