4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide

C23H28N4O — CID 126431535

IUPAC4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESC[C@@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)N1CCN(C)CC1
InChIInChI=1S/C23H28N4O/c1-18(27-15-13-26(2)14-16-27)11-12-25-23(28)20-9-7-19(8-10-20)22-6-4-3-5-21(22)17-24/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyADBQAQAZNUXWPW-SFHVURJKSA-N
MW376.50 g/mol
LogP2.98
Rot. Bonds6

About 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide

4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 126431535) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID126431535
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESC[C@@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)N1CCN(C)CC1
InChIInChI=1S/C23H28N4O/c1-18(27-15-13-26(2)14-16-27)11-12-25-23(28)20-9-7-19(8-10-20)22-6-4-3-5-21(22)17-24/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyADBQAQAZNUXWPW-SFHVURJKSA-N
XLogP2.98
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
4-(2,4-difluorophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 125163143
4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
CID 121498729
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
CID 74246836
5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
CID 125443479
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 95872723
1-[3-(2-methylphenyl)phenyl]-3-[3-(4-methylpiperazin-1-yl)butyl]urea
CID 118764189
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
CID 59840242
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide (CID 126431535) is 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide is C[C@@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)N1CCN(C)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is ADBQAQAZNUXWPW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18(27-15-13-26(2)14-16-27)11-12-25-23(28)20-9-7-19(8-10-20)22-6-4-3-5-21(22)17-24/h3-10,18H,11-16H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide?
4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 126431535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).