5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

C20H33N3O2 — CID 138385825

IUPAC5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCC(C)(CN1CCOCC1)CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,16-23-9-11-25-12-10-23)15-22-7-5-17(6-8-22)13-18-3-4-19(24)21-14-18/h3-4,14,17H,5-13,15-16H2,1-2H3,(H,21,24)
InChIKeyMIRPBOBUZUMVSU-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.99
Rot. Bonds6

About 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138385825) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138385825
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCC(C)(CN1CCOCC1)CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,16-23-9-11-25-12-10-23)15-22-7-5-17(6-8-22)13-18-3-4-19(24)21-14-18/h3-4,14,17H,5-13,15-16H2,1-2H3,(H,21,24)
InChIKeyMIRPBOBUZUMVSU-UHFFFAOYSA-N
XLogP1.99
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138385825) is 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is CC(C)(CN1CCOCC1)CN1CCC(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is MIRPBOBUZUMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,16-23-9-11-25-12-10-23)15-22-7-5-17(6-8-22)13-18-3-4-19(24)21-14-18/h3-4,14,17H,5-13,15-16H2,1-2H3,(H,21,24).
What are the key properties of 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 347.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138385825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).