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

C22H26ClN3O2 — CID 24740167

IUPACN-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16(2)20(24-21(27)17-6-4-3-5-7-17)22(28)26-14-12-25(13-15-26)19-10-8-18(23)9-11-19/h3-11,16,20H,12-15H2,1-2H3,(H,24,27)
InChIKeySIPFGQYBFGYOIK-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.44
Rot. Bonds5

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

N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 24740167) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID24740167
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16(2)20(24-21(27)17-6-4-3-5-7-17)22(28)26-14-12-25(13-15-26)19-10-8-18(23)9-11-19/h3-11,16,20H,12-15H2,1-2H3,(H,24,27)
InChIKeySIPFGQYBFGYOIK-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 24740167) is N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is SIPFGQYBFGYOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16(2)20(24-21(27)17-6-4-3-5-7-17)22(28)26-14-12-25(13-15-26)19-10-8-18(23)9-11-19/h3-11,16,20H,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).