3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C18H28N2O4 — CID 97109718

IUPAC3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22)/t18-/m0/s1
InChIKeyIVSQKHOHMBLRAO-SFHVURJKSA-N
MW336.43 g/mol
LogP1.75
Rot. Bonds6

About 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 97109718) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID97109718
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22)/t18-/m0/s1
InChIKeyIVSQKHOHMBLRAO-SFHVURJKSA-N
XLogP1.75
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

1-[(2-Hydroxy-6-isopropyl-3-pyridinyl)carbonyl]-3-(3-methoxypropyl)-3-piperidinecarboxylic acid
CID 70714642
3-{[4-(1-Hydroxy-3-methylbutyl)-1-piperidinyl]carbonyl}-6-isopropyl-2-pyridinol
CID 70769210
3-{[3-(Hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]carbonyl}-6-isopropyl-2-pyridinol
CID 72837392
3-{[3-(Hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]carbonyl}-2-pyridinol
CID 72877322
2-Hydroxy-5-{[3-(hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]carbonyl}-6-methylnicotinonitrile
CID 72924035
3-[(rel-(3S,5R)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-piperidinyl)carbonyl]-6-isopropyl-2-pyridinol
CID 70750280
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 43589491
3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 62372154
3-{[3-(Hydroxymethyl)-3-(3-methylbut-2-en-1-yl)piperidin-1-yl]carbonyl}pyridin-2-ol
CID 70748709
6-Isopropyl-3-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-2-pyridinol
CID 70755815
3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70777655
3-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]carbonyl}-5,6-dimethyl-2(1H)-pyridinone
CID 72867926

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 97109718) is 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is COCC[C@@]1(CO)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IVSQKHOHMBLRAO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(2)15-6-5-14(16(22)19-15)17(23)20-9-4-7-18(11-20,12-21)8-10-24-3/h5-6,13,21H,4,7-12H2,1-3H3,(H,19,22)/t18-/m0/s1.
What are the key properties of 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 336.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 97109718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).