4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

C21H26N2O3 — CID 134706311

IUPAC4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C21H26N2O3/c1-13(2)17-11-23(12-18(26-17)16-8-6-5-7-9-16)21(25)19-14(3)10-15(4)22-20(19)24/h5-10,13,17-18H,11-12H2,1-4H3,(H,22,24)/t17-,18+/m1/s1
InChIKeySDHZDHBCBVQDLB-MSOLQXFVSA-N
MW354.45 g/mol
LogP3.23
Rot. Bonds3

About 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 134706311) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID134706311
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C21H26N2O3/c1-13(2)17-11-23(12-18(26-17)16-8-6-5-7-9-16)21(25)19-14(3)10-15(4)22-20(19)24/h5-10,13,17-18H,11-12H2,1-4H3,(H,22,24)/t17-,18+/m1/s1
InChIKeySDHZDHBCBVQDLB-MSOLQXFVSA-N
XLogP3.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134712918
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
CID 155911907
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134704293
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134696475
3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
CID 154913614
(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582
(3-fluoro-4-hydroxyphenyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone;formic acid
CID 155971983
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 75375735

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 134706311) is 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is SDHZDHBCBVQDLB-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13(2)17-11-23(12-18(26-17)16-8-6-5-7-9-16)21(25)19-14(3)10-15(4)22-20(19)24/h5-10,13,17-18H,11-12H2,1-4H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 134706311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).