(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C16H23NO4 — CID 115875036

IUPAC(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(C)(O)C2)cc(OC)c1C
InChIInChI=1S/C16H23NO4/c1-11-13(20-3)8-12(9-14(11)21-4)15(18)17-7-5-6-16(2,19)10-17/h8-9,19H,5-7,10H2,1-4H3
InChIKeyZPNRMDCFGMCUMX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds3

About (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115875036) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115875036
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(C)(O)C2)cc(OC)c1C
InChIInChI=1S/C16H23NO4/c1-11-13(20-3)8-12(9-14(11)21-4)15(18)17-7-5-6-16(2,19)10-17/h8-9,19H,5-7,10H2,1-4H3
InChIKeyZPNRMDCFGMCUMX-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-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

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
CID 115874362
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115875036) is (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCCC(C)(O)C2)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is ZPNRMDCFGMCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-13(20-3)8-12(9-14(11)21-4)15(18)17-7-5-6-16(2,19)10-17/h8-9,19H,5-7,10H2,1-4H3.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 293.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115875036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).