3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C20H33N3O4 — CID 70750280

IUPAC3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C20H33N3O4/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-11-15(9-16(12-23)13-24)10-22(3)7-8-27-4/h5-6,14-16,24H,7-13H2,1-4H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyCXQHAEOVZINFLG-CVEARBPZSA-N
MW379.50 g/mol
LogP1.15
Rot. Bonds8

About 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 70750280) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID70750280
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C20H33N3O4/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-11-15(9-16(12-23)13-24)10-22(3)7-8-27-4/h5-6,14-16,24H,7-13H2,1-4H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyCXQHAEOVZINFLG-CVEARBPZSA-N
XLogP1.15
TPSA85.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 70750280) is 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1.
What is the InChIKey of 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is CXQHAEOVZINFLG-CVEARBPZSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-11-15(9-16(12-23)13-24)10-22(3)7-8-27-4/h5-6,14-16,24H,7-13H2,1-4H3,(H,21,25)/t15-,16+/m1/s1.
What are the key properties of 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 379.50 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-3-(hydroxymethyl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 70750280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).