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

C19H26ClN3O3 — CID 70740982

IUPAC1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
SMILESC[C@@H]1CN(CCC(=O)N2CCN(c3ccccc3Cl)C(=O)C2)C[C@H](C)O1
InChIInChI=1S/C19H26ClN3O3/c1-14-11-21(12-15(2)26-14)8-7-18(24)22-9-10-23(19(25)13-22)17-6-4-3-5-16(17)20/h3-6,14-15H,7-13H2,1-2H3/t14-,15+
InChIKeyAXTPSQBZGFUUAQ-GASCZTMLSA-N
MW379.89 g/mol
LogP2.01
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one (PubChem CID 70740982) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
PubChem CID70740982
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
SMILESC[C@@H]1CN(CCC(=O)N2CCN(c3ccccc3Cl)C(=O)C2)C[C@H](C)O1
InChIInChI=1S/C19H26ClN3O3/c1-14-11-21(12-15(2)26-14)8-7-18(24)22-9-10-23(19(25)13-22)17-6-4-3-5-16(17)20/h3-6,14-15H,7-13H2,1-2H3/t14-,15+
InChIKeyAXTPSQBZGFUUAQ-GASCZTMLSA-N
XLogP2.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one with MolForge

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Related Compounds

1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
CID 157423766
1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 70774838
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029324
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
[(2R)-1-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 96582137
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one (CID 70740982) is 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one is C[C@@H]1CN(CCC(=O)N2CCN(c3ccccc3Cl)C(=O)C2)C[C@H](C)O1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one?
The InChIKey is AXTPSQBZGFUUAQ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-14-11-21(12-15(2)26-14)8-7-18(24)22-9-10-23(19(25)13-22)17-6-4-3-5-16(17)20/h3-6,14-15H,7-13H2,1-2H3/t14-,15+.
What are the key properties of 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one?
1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one has a molecular weight of 379.89 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 70740982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).