N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

C20H25N3O3 — CID 118772051

IUPACN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)n1C
InChIInChI=1S/C20H25N3O3/c1-14-10-18(25)12-19(22(14)2)20(26)21-16-6-8-23(9-7-16)13-15-4-3-5-17(24)11-15/h3-5,10-12,16,24H,6-9,13H2,1-2H3,(H,21,26)
InChIKeyUBRHZEKPKYGJIW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.79
Rot. Bonds4

About N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 118772051) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID118772051
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)n1C
InChIInChI=1S/C20H25N3O3/c1-14-10-18(25)12-19(22(14)2)20(26)21-16-6-8-23(9-7-16)13-15-4-3-5-17(24)11-15/h3-5,10-12,16,24H,6-9,13H2,1-2H3,(H,21,26)
InChIKeyUBRHZEKPKYGJIW-UHFFFAOYSA-N
XLogP1.79
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-3-methylbut-1-ynyl)-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]benzamide
CID 131915003
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]acetamide
CID 166612408
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
1-[2-(dimethylamino)ethyl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131947303
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 126446393
(1S,3R,4R)-3-amino-4-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 155502884
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
CID 72845146
5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 70716700
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146042653

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (CID 118772051) is N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)n1C.
What is the InChIKey of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is UBRHZEKPKYGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-10-18(25)12-19(22(14)2)20(26)21-16-6-8-23(9-7-16)13-15-4-3-5-17(24)11-15/h3-5,10-12,16,24H,6-9,13H2,1-2H3,(H,21,26).
What are the key properties of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 118772051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).