4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C21H33N3O2 — CID 70787841

IUPAC4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(C)N(CC(C)(C)CN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C21H33N3O2/c1-17-5-7-19(8-6-17)24-13-18(2)23(14-20(24)25)16-21(3,4)15-22-9-11-26-12-10-22/h5-8,18H,9-16H2,1-4H3
InChIKeyADJOCBQBXFKNBN-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.39
Rot. Bonds5

About 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70787841) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID70787841
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(C)N(CC(C)(C)CN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C21H33N3O2/c1-17-5-7-19(8-6-17)24-13-18(2)23(14-20(24)25)16-21(3,4)15-22-9-11-26-12-10-22/h5-8,18H,9-16H2,1-4H3
InChIKeyADJOCBQBXFKNBN-UHFFFAOYSA-N
XLogP2.39
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
CID 97146765
(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
(5R)-5-methyl-1-(4-methylphenyl)-4-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 97120646
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
5-methyl-1-(4-methylphenyl)-4-[3-(1-methylpiperidin-4-yl)propanoyl]piperazin-2-one
CID 70767280
(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97070411
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
1-(4-methylphenyl)-4-morpholin-4-ylimidazolidin-2-one
CID 57296766
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 70787841) is 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CC(C)N(CC(C)(C)CN3CCOCC3)CC2=O)cc1.
What is the InChIKey of 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is ADJOCBQBXFKNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-5-7-19(8-6-17)24-13-18(2)23(14-20(24)25)16-21(3,4)15-22-9-11-26-12-10-22/h5-8,18H,9-16H2,1-4H3.
What are the key properties of 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 359.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70787841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).