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

C18H29N3O3 — CID 95708645

IUPAC3-[(3S)-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-/m0/s1
InChIKeyFLIKKMUSBRDKPX-SFHVURJKSA-N
MW335.45 g/mol
LogP0.78
Rot. Bonds4

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

3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (PubChem CID 95708645) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
PubChem CID95708645
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[(3S)-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-/m0/s1
InChIKeyFLIKKMUSBRDKPX-SFHVURJKSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The IUPAC name of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (CID 95708645) is 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The canonical SMILES for 3-[(3S)-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-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The InChIKey is FLIKKMUSBRDKPX-SFHVURJKSA-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-/m0/s1.
What are the key properties of 3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
3-[(3S)-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-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 95708645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).