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

C19H24N4O3S — CID 43921877

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-16-4-6-18(7-5-16)19(24)21-14-17-3-2-8-20-13-17/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyXNUSOBPLQKOMBF-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.09
Rot. Bonds6

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

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43921877) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43921877
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-16-4-6-18(7-5-16)19(24)21-14-17-3-2-8-20-13-17/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyXNUSOBPLQKOMBF-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

2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38100390
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 43917919
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 43921877) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is CS(=O)(=O)N1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XNUSOBPLQKOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-27(25,26)23-11-9-22(10-12-23)15-16-4-6-18(7-5-16)19(24)21-14-17-3-2-8-20-13-17/h2-8,13H,9-12,14-15H2,1H3,(H,21,24).
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-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 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43921877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).