N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

C18H29N3O3S — CID 113148481

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-16(2)13-21(25(3,23)24)15-18(22)20-11-9-19(10-12-20)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyCBVFXKOTBZSITO-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.25
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 113148481) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID113148481
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-16(2)13-21(25(3,23)24)15-18(22)20-11-9-19(10-12-20)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyCBVFXKOTBZSITO-UHFFFAOYSA-N
XLogP1.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 1135728
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
CID 56570110
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide
CID 2970012
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148483
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
CID 3355285

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (CID 113148481) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is CBVFXKOTBZSITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-16(2)13-21(25(3,23)24)15-18(22)20-11-9-19(10-12-20)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 113148481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).