(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

C20H31N3O3 — CID 9116613

IUPAC(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-15-13-23(14-16(2)26-15)20(24)17(3)21-8-10-22(11-9-21)18-6-5-7-19(12-18)25-4/h5-7,12,15-17H,8-11,13-14H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyICCKINOZPLSXGV-IXDOHACOSA-N
MW361.49 g/mol
LogP1.84
Rot. Bonds4

About (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 9116613) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID9116613
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-15-13-23(14-16(2)26-15)20(24)17(3)21-8-10-22(11-9-21)18-6-5-7-19(12-18)25-4/h5-7,12,15-17H,8-11,13-14H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyICCKINOZPLSXGV-IXDOHACOSA-N
XLogP1.84
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17394355
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786309
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 11928091
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 7832332
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 51199757
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 9116613) is (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1cccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1.
What is the InChIKey of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ICCKINOZPLSXGV-IXDOHACOSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-13-23(14-16(2)26-15)20(24)17(3)21-8-10-22(11-9-21)18-6-5-7-19(12-18)25-4/h5-7,12,15-17H,8-11,13-14H2,1-4H3/t15-,16+,17-/m1/s1.
What are the key properties of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 9116613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).