4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide

C16H25N3O3S — CID 43924194

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-8-17-16(20)15-6-4-14(5-7-15)13-18-9-11-19(12-10-18)23(2,21)22/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyXBBWRXRTDPXBBZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.90
Rot. Bonds6

About 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide (PubChem CID 43924194) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
PubChem CID43924194
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-8-17-16(20)15-6-4-14(5-7-15)13-18-9-11-19(12-10-18)23(2,21)22/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyXBBWRXRTDPXBBZ-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920725
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 38097121
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pentylbenzamide
CID 43924590

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide (CID 43924194) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide?
The InChIKey is XBBWRXRTDPXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-8-17-16(20)15-6-4-14(5-7-15)13-18-9-11-19(12-10-18)23(2,21)22/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 43924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).