4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C25H32N4O4S — CID 38099687

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-34(32,33)29-17-15-27(16-18-29)19-20-9-11-21(12-10-20)24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30)
InChIKeyDRJASVIZSNGXEE-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.64
Rot. Bonds6

About 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 38099687) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID38099687
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-34(32,33)29-17-15-27(16-18-29)19-20-9-11-21(12-10-20)24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30)
InChIKeyDRJASVIZSNGXEE-UHFFFAOYSA-N
XLogP2.64
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azepane-1-carbonyl)phenyl]-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43925510
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 38097121
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 43923542

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 38099687) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is CS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is DRJASVIZSNGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-34(32,33)29-17-15-27(16-18-29)19-20-9-11-21(12-10-20)24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30).
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 2.64, 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-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 38099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).