3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

C19H24N4O3S — CID 43921921

IUPAC3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCc3ccncc3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-17-3-2-4-18(13-17)19(24)21-14-16-5-7-20-8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyPMMILSCUVSOIEP-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.09
Rot. Bonds6

About 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 43921921) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID43921921
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCc3ccncc3)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-17-3-2-4-18(13-17)19(24)21-14-16-5-7-20-8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyPMMILSCUVSOIEP-UHFFFAOYSA-N
XLogP1.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43924169
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
N-(2,4-dimethylpentan-3-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921351
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43920971
N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922830
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921468
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920928
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918019

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 43921921) is 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is CS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCc3ccncc3)c2)CC1.
What is the InChIKey of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is PMMILSCUVSOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-17-3-2-4-18(13-17)19(24)21-14-16-5-7-20-8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24).
What are the key properties of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 43921921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).