3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide

C22H28ClN3O — CID 46055817

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-17(2)15-24-22(27)19-5-3-4-18(14-19)16-25-10-12-26(13-11-25)21-8-6-20(23)7-9-21/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyGADOYMRNDJXZBV-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.05
Rot. Bonds6

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46055817) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46055817
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-17(2)15-24-22(27)19-5-3-4-18(14-19)16-25-10-12-26(13-11-25)21-8-6-20(23)7-9-21/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyGADOYMRNDJXZBV-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
3-[[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide
CID 46146823

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46055817) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is GADOYMRNDJXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-17(2)15-24-22(27)19-5-3-4-18(14-19)16-25-10-12-26(13-11-25)21-8-6-20(23)7-9-21/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 385.94 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46055817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).