3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one

C19H22N2O3 — CID 75372113

IUPAC3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2cccc(CO)c2)C1=O
InChIInChI=1S/C19H22N2O3/c1-24-18-10-3-2-9-17(18)21-11-5-8-16(19(21)23)20-15-7-4-6-14(12-15)13-22/h2-4,6-7,9-10,12,16,20,22H,5,8,11,13H2,1H3
InChIKeyJHDIUVAYIFPOST-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.80
Rot. Bonds5

About 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one

3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one (PubChem CID 75372113) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
PubChem CID75372113
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2cccc(CO)c2)C1=O
InChIInChI=1S/C19H22N2O3/c1-24-18-10-3-2-9-17(18)21-11-5-8-16(19(21)23)20-15-7-4-6-14(12-15)13-22/h2-4,6-7,9-10,12,16,20,22H,5,8,11,13H2,1H3
InChIKeyJHDIUVAYIFPOST-UHFFFAOYSA-N
XLogP2.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
CID 167951808
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
(3S)-3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446348
(3S)-3-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446347

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one (CID 75372113) is 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one is COc1ccccc1N1CCCC(Nc2cccc(CO)c2)C1=O.
What is the InChIKey of 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one?
The InChIKey is JHDIUVAYIFPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-18-10-3-2-9-17(18)21-11-5-8-16(19(21)23)20-15-7-4-6-14(12-15)13-22/h2-4,6-7,9-10,12,16,20,22H,5,8,11,13H2,1H3.
What are the key properties of 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one?
3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 75372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).