1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone

C19H27NO5 — CID 153379569

IUPAC1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(C2CCN(C)CC2O)c(OC)c1C1CC1
InChIInChI=1S/C19H27NO5/c1-10(21)14-17(23)16(12-7-8-20(2)9-13(12)22)19(25-4)15(11-5-6-11)18(14)24-3/h11-13,22-23H,5-9H2,1-4H3
InChIKeyRBZLOJYGBILTAR-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.27
Rot. Bonds5

About 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone

1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone (PubChem CID 153379569) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone
PubChem CID153379569
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone
SMILESCOc1c(C(C)=O)c(O)c(C2CCN(C)CC2O)c(OC)c1C1CC1
InChIInChI=1S/C19H27NO5/c1-10(21)14-17(23)16(12-7-8-20(2)9-13(12)22)19(25-4)15(11-5-6-11)18(14)24-3/h11-13,22-23H,5-9H2,1-4H3
InChIKeyRBZLOJYGBILTAR-UHFFFAOYSA-N
XLogP2.27
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone with MolForge

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Related Compounds

1-[2-hydroxy-3-[(3S)-3-hydroxy-1-methylpiperidin-4-yl]-6-methoxy-4-methylphenyl]ethanone
CID 164959426
1-[2-hydroxy-4,6-dimethoxy-3-[(3S)-1-methylpyrrolidin-3-yl]phenyl]ethanone
CID 148573605
1-[2-hydroxy-4,6-dimethoxy-3-(1-methylpyrrolidin-3-yl)phenyl]ethanone;methyl acetate
CID 144686827
(3S)-4-(2,4-dimethoxy-6-methylphenyl)-1-methylpiperidin-3-ol
CID 164959425
1-[2-hydroxy-3-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,6-dimethoxyphenyl]ethanone
CID 87404895
methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate
CID 175783980
8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxy-2-sulfanylchromen-4-one
CID 10594085
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
3,4-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-2-one
CID 141397653
[(2R,3S)-3-[3-acetyl-6-(hydroxymethyl)-2,4-dimethoxyphenyl]-1-methylpyrrolidin-2-yl]methyl acetate
CID 155615897
methyl 6-acetyl-1-methyl-3-(1-methylpyrrolidin-3-yl)-2-oxobenzimidazole-5-carboxylate
CID 167310987
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone?
The IUPAC name of 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone (CID 153379569) is 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone.
What is the SMILES notation for 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone?
The canonical SMILES for 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone is COc1c(C(C)=O)c(O)c(C2CCN(C)CC2O)c(OC)c1C1CC1.
What is the InChIKey of 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone?
The InChIKey is RBZLOJYGBILTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-10(21)14-17(23)16(12-7-8-20(2)9-13(12)22)19(25-4)15(11-5-6-11)18(14)24-3/h11-13,22-23H,5-9H2,1-4H3.
What are the key properties of 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone?
1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-2-hydroxy-3-(3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl]ethanone is sourced from PubChem (CID 153379569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).