1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one

C16H27N3O2 — CID 82218887

IUPAC1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCN(Cc2cc(=O)c(O)cn2CCN(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-13-5-4-6-18(10-13)11-14-9-15(20)16(21)12-19(14)8-7-17(2)3/h9,12-13,21H,4-8,10-11H2,1-3H3
InChIKeyPINLSEIKXHOYBB-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.35
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one

1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82218887) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82218887
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCN(Cc2cc(=O)c(O)cn2CCN(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-13-5-4-6-18(10-13)11-14-9-15(20)16(21)12-19(14)8-7-17(2)3/h9,12-13,21H,4-8,10-11H2,1-3H3
InChIKeyPINLSEIKXHOYBB-UHFFFAOYSA-N
XLogP1.35
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218843
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217753
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
CID 94960570
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218512
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82218887) is 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one is CC1CCCN(Cc2cc(=O)c(O)cn2CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is PINLSEIKXHOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-5-4-6-18(10-13)11-14-9-15(20)16(21)12-19(14)8-7-17(2)3/h9,12-13,21H,4-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 293.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82218887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).