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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Related Compounds

5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride
CID 163237704
5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 163237705
(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
CID 89049413
3,9-dimethyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123255940
9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123563182
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188616
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188665
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188824
(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188976
ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one
CID 143791717
ethane;N-ethylacetamide;methoxymethane;(3S)-3-[(2E,4Z,7E)-9-methyldeca-2,4,7-trien-3-yl]piperidine;1-methylpyridin-2-one;prop-1-ene
CID 144066406
(3Z)-3-[[2-ethylpentyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747317

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).