3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one

C18H29N3O3 — CID 95708646

IUPAC3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(=O)n1C
InChIInChI=1S/C18H29N3O3/c1-6-15-13(2)10-14(16(22)20(15)5)17(23)21-9-7-8-18(24,12-21)11-19(3)4/h10,24H,6-9,11-12H2,1-5H3/t18-/m1/s1
InChIKeyFLIKKMUSBRDKPX-GOSISDBHSA-N
MW335.45 g/mol
LogP0.78
Rot. Bonds4

About 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one

3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (PubChem CID 95708646) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
PubChem CID95708646
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(=O)n1C
InChIInChI=1S/C18H29N3O3/c1-6-15-13(2)10-14(16(22)20(15)5)17(23)21-9-7-8-18(24,12-21)11-19(3)4/h10,24H,6-9,11-12H2,1-5H3/t18-/m1/s1
InChIKeyFLIKKMUSBRDKPX-GOSISDBHSA-N
XLogP0.78
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-hydroxypiperidin-3-yl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77094414
6-ethyl-3-{[(3S*,4R*)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]carbonyl}-1,5-dimethylpyridin-2(1H)-one
CID 133129133
3-({3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-ethyl-1,5-dimethyl-2(1H)-pyridinone
CID 56884040
6-ethyl-3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 56758360
6-ethyl-3-{[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]carbonyl}-1,5-dimethylpyridin-2(1H)-one
CID 56759216
1-Ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
CID 56885996
6-ethyl-3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-1,5-dimethyl-2(1H)-pyridinone
CID 56887491
3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 95708645
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99948664
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99948665
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 115874809
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115875307

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The IUPAC name of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (CID 95708646) is 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The canonical SMILES for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(=O)n1C.
What is the InChIKey of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The InChIKey is FLIKKMUSBRDKPX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-15-13(2)10-14(16(22)20(15)5)17(23)21-9-7-8-18(24,12-21)11-19(3)4/h10,24H,6-9,11-12H2,1-5H3/t18-/m1/s1.
What are the key properties of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one has a molecular weight of 335.45 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 95708646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).