4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one

C25H33N3O3 — CID 172655374

IUPAC4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C25H33N3O3/c1-20-9-12-27(13-10-21-6-3-2-4-7-21)24(29)23(20)25(30)28-11-5-8-22(19-28)18-26-14-16-31-17-15-26/h2-4,6-7,9,12,22H,5,8,10-11,13-19H2,1H3
InChIKeyOLXQSZGZMGWYFB-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.58
Rot. Bonds6

About 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one

4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one (PubChem CID 172655374) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
PubChem CID172655374
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C25H33N3O3/c1-20-9-12-27(13-10-21-6-3-2-4-7-21)24(29)23(20)25(30)28-11-5-8-22(19-28)18-26-14-16-31-17-15-26/h2-4,6-7,9,12,22H,5,8,10-11,13-19H2,1H3
InChIKeyOLXQSZGZMGWYFB-UHFFFAOYSA-N
XLogP2.58
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172655551
3-[3-(aminomethyl)piperidine-1-carbonyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one;hydrochloride
CID 172913198
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126803146
3-(3-aminopyrrolidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one
CID 172666418
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one (CID 172655374) is 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one is Cc1ccn(CCc2ccccc2)c(=O)c1C(=O)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is OLXQSZGZMGWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-20-9-12-27(13-10-21-6-3-2-4-7-21)24(29)23(20)25(30)28-11-5-8-22(19-28)18-26-14-16-31-17-15-26/h2-4,6-7,9,12,22H,5,8,10-11,13-19H2,1H3.
What are the key properties of 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one?
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 423.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 172655374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).