1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone

C25H32N2OS — CID 90567225

IUPAC1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C25H32N2OS/c1-19(2)29-24-12-8-21(9-13-24)17-25(28)27-15-14-26(22-10-11-22)18-23(27)16-20-6-4-3-5-7-20/h3-9,12-13,19,22-23H,10-11,14-18H2,1-2H3
InChIKeyDCFWSXFWFRHGAX-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone

1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone (PubChem CID 90567225) has the molecular formula C25H32N2OS and a molecular weight of 408.61 g/mol. Its IUPAC name is 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
PubChem CID90567225
Molecular FormulaC25H32N2OS
Molecular Weight408.61 g/mol
Exact Mass408.22
IUPAC Name1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C25H32N2OS/c1-19(2)29-24-12-8-21(9-13-24)17-25(28)27-15-14-26(22-10-11-22)18-23(27)16-20-6-4-3-5-7-20/h3-9,12-13,19,22-23H,10-11,14-18H2,1-2H3
InChIKeyDCFWSXFWFRHGAX-UHFFFAOYSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone with MolForge

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Related Compounds

1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90591349
1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 121149931
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The IUPAC name of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone (CID 90567225) is 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone is CC(C)Sc1ccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The InChIKey is DCFWSXFWFRHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2OS/c1-19(2)29-24-12-8-21(9-13-24)17-25(28)27-15-14-26(22-10-11-22)18-23(27)16-20-6-4-3-5-7-20/h3-9,12-13,19,22-23H,10-11,14-18H2,1-2H3.
What are the key properties of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone?
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone has a molecular weight of 408.61 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 90567225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).