[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C17H25N3O2 — CID 95839236

IUPAC[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCO[C@](C)(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-17(14-18(2)12-13-22-17)16(21)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyZNEPLTUEXHXOQV-KRWDZBQOSA-N
MW303.41 g/mol
LogP1.06
Rot. Bonds2

About [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 95839236) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID95839236
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCO[C@](C)(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-17(14-18(2)12-13-22-17)16(21)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyZNEPLTUEXHXOQV-KRWDZBQOSA-N
XLogP1.06
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-N-(2-hydroxyethyl)-2,4-dimethylmorpholine-2-carboxamide
CID 95839270
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 78791442
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
2,2-dimethyl-4-phenylmorpholine
CID 15576765
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 25465660
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
(1S,4S)-1,7,7-trimethyl-4-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98115733
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
(2-methyloxan-2-yl)-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70713244

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 95839236) is [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone is CN1CCO[C@](C)(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZNEPLTUEXHXOQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(14-18(2)12-13-22-17)16(21)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 95839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).