1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone

C23H27ClN2O — CID 143233119

IUPAC1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone
SMILESCC1CN(c2cc(Cl)ccc2C2CCC2)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C23H27ClN2O/c1-17-16-25(22-15-20(24)10-11-21(22)19-8-5-9-19)12-13-26(17)23(27)14-18-6-3-2-4-7-18/h2-4,6-7,10-11,15,17,19H,5,8-9,12-14,16H2,1H3
InChIKeyLEJSABAXNCBDTD-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.89
Rot. Bonds4

About 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone

1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone (PubChem CID 143233119) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone
PubChem CID143233119
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone
SMILESCC1CN(c2cc(Cl)ccc2C2CCC2)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C23H27ClN2O/c1-17-16-25(22-15-20(24)10-11-21(22)19-8-5-9-19)12-13-26(17)23(27)14-18-6-3-2-4-7-18/h2-4,6-7,10-11,15,17,19H,5,8-9,12-14,16H2,1H3
InChIKeyLEJSABAXNCBDTD-UHFFFAOYSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 93340818
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
1-[4-[6-(3-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 83281254
1-[(2R)-4-(2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]-2-phenylethanone
CID 7428699
1-[4-[[2-cyclobutyl-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazin-1-yl]-2-phenylethanone;propanoic acid
CID 143233099
(3S)-4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylic acid
CID 69250292
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
2-[4-chloro-2-[[4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 73306092
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
1-[2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 83289350
3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982000
2-(4-chlorophenyl)-1-[(2S)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141146785

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone (CID 143233119) is 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone is CC1CN(c2cc(Cl)ccc2C2CCC2)CCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is LEJSABAXNCBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-17-16-25(22-15-20(24)10-11-21(22)19-8-5-9-19)12-13-26(17)23(27)14-18-6-3-2-4-7-18/h2-4,6-7,10-11,15,17,19H,5,8-9,12-14,16H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone?
1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 382.94 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 143233119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).