1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one

C21H27N3O3 — CID 56738743

IUPAC1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1=O
InChIInChI=1S/C21H27N3O3/c1-5-24-16(4)12-15(3)18(20(24)26)19(25)23-10-8-21(27,9-11-23)17-7-6-14(2)13-22-17/h6-7,12-13,27H,5,8-11H2,1-4H3
InChIKeyMVEFDKGLCGLFJR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.31
Rot. Bonds3

About 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one

1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one (PubChem CID 56738743) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
PubChem CID56738743
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1=O
InChIInChI=1S/C21H27N3O3/c1-5-24-16(4)12-15(3)18(20(24)26)19(25)23-10-8-21(27,9-11-23)17-7-6-14(2)13-22-17/h6-7,12-13,27H,5,8-11H2,1-4H3
InChIKeyMVEFDKGLCGLFJR-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one with MolForge

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Related Compounds

Pirmenol
CID 65502
Gsk-364735
CID 54718859
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
Pirmenol Hydrochloride
CID 65501
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
7-benzyl-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54702855
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[2-(1-piperidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54702923

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one (CID 56738743) is 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The InChIKey is MVEFDKGLCGLFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-24-16(4)12-15(3)18(20(24)26)19(25)23-10-8-21(27,9-11-23)17-7-6-14(2)13-22-17/h6-7,12-13,27H,5,8-11H2,1-4H3.
What are the key properties of 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 56738743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).