(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one

C21H26N2O2 — CID 97007562

IUPAC(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
SMILESCc1ccccc1[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)[C@H](C)CO1
InChIInChI=1S/C21H26N2O2/c1-15-6-4-5-7-19(15)20-13-23(17(3)14-25-20)21(24)12-16(2)18-8-10-22-11-9-18/h4-11,16-17,20H,12-14H2,1-3H3/t16-,17-,20+/m1/s1
InChIKeyXYNXOEMTTUSEBY-HLIPFELVSA-N
MW338.45 g/mol
LogP3.87
Rot. Bonds4

About (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one

(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one (PubChem CID 97007562) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
PubChem CID97007562
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
SMILESCc1ccccc1[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)[C@H](C)CO1
InChIInChI=1S/C21H26N2O2/c1-15-6-4-5-7-19(15)20-13-23(17(3)14-25-20)21(24)12-16(2)18-8-10-22-11-9-18/h4-11,16-17,20H,12-14H2,1-3H3/t16-,17-,20+/m1/s1
InChIKeyXYNXOEMTTUSEBY-HLIPFELVSA-N
XLogP3.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one with MolForge

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Related Compounds

3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97072789
(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 96566156
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
CID 124619460

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one?
The IUPAC name of (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one (CID 97007562) is (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one.
What is the SMILES notation for (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one?
The canonical SMILES for (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one is Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)[C@H](C)CO1.
What is the InChIKey of (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one?
The InChIKey is XYNXOEMTTUSEBY-HLIPFELVSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-4-5-7-19(15)20-13-23(17(3)14-25-20)21(24)12-16(2)18-8-10-22-11-9-18/h4-11,16-17,20H,12-14H2,1-3H3/t16-,17-,20+/m1/s1.
What are the key properties of (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one?
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 97007562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).