3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one

C19H27NO4 — CID 167852658

IUPAC3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one
SMILESCOCC(C)(O)CC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27NO4/c1-14-4-6-15(7-5-14)18(22)16-8-10-20(11-9-16)17(21)12-19(2,23)13-24-3/h4-7,16,23H,8-13H2,1-3H3
InChIKeyMXHRRKGMMQSYSL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.20
Rot. Bonds6

About 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one

3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one (PubChem CID 167852658) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one
PubChem CID167852658
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one
SMILESCOCC(C)(O)CC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27NO4/c1-14-4-6-15(7-5-14)18(22)16-8-10-20(11-9-16)17(21)12-19(2,23)13-24-3/h4-7,16,23H,8-13H2,1-3H3
InChIKeyMXHRRKGMMQSYSL-UHFFFAOYSA-N
XLogP2.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 136524002
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one (CID 167852658) is 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one is COCC(C)(O)CC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one?
The InChIKey is MXHRRKGMMQSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14-4-6-15(7-5-14)18(22)16-8-10-20(11-9-16)17(21)12-19(2,23)13-24-3/h4-7,16,23H,8-13H2,1-3H3.
What are the key properties of 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one?
3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one has a molecular weight of 333.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 167852658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).