1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one

C16H23N3O3 — CID 155974237

IUPAC1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CCOC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C16H23N3O3/c1-17-7-4-13(10-15(17)20)11-18-8-9-22-14(12-18)16(21)19-5-2-3-6-19/h4,7,10,14H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyNRZIVCHPPPYRQK-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.21
Rot. Bonds3

About 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one

1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one (PubChem CID 155974237) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
PubChem CID155974237
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CCOC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C16H23N3O3/c1-17-7-4-13(10-15(17)20)11-18-8-9-22-14(12-18)16(21)19-5-2-3-6-19/h4,7,10,14H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyNRZIVCHPPPYRQK-UHFFFAOYSA-N
XLogP0.21
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
[4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146079568
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
CID 94443902
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146078314
[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one (CID 155974237) is 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one is Cn1ccc(CN2CCOC(C(=O)N3CCCC3)C2)cc1=O.
What is the InChIKey of 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one?
The InChIKey is NRZIVCHPPPYRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-17-7-4-13(10-15(17)20)11-18-8-9-22-14(12-18)16(21)19-5-2-3-6-19/h4,7,10,14H,2-3,5-6,8-9,11-12H2,1H3.
What are the key properties of 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one?
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one is sourced from PubChem (CID 155974237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).