(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

C18H28N4O3S — CID 43924483

IUPAC(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)CC1
InChIInChI=1S/C18H28N4O3S/c1-19-7-11-21(12-8-19)18(23)17-5-3-16(4-6-17)15-20-9-13-22(14-10-20)26(2,24)25/h3-6H,7-15H2,1-2H3
InChIKeyRIHWRESQSPSULT-UHFFFAOYSA-N
MW380.51 g/mol
LogP0.15
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 43924483) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID43924483
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)CC1
InChIInChI=1S/C18H28N4O3S/c1-19-7-11-21(12-8-19)18(23)17-5-3-16(4-6-17)15-20-9-13-22(14-10-20)26(2,24)25/h3-6H,7-15H2,1-2H3
InChIKeyRIHWRESQSPSULT-UHFFFAOYSA-N
XLogP0.15
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43922370
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 90653096
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120659961
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 72922431
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
[4-(1-aminoethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119516982
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone (CID 43924483) is (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(C(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is RIHWRESQSPSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-19-7-11-21(12-8-19)18(23)17-5-3-16(4-6-17)15-20-9-13-22(14-10-20)26(2,24)25/h3-6H,7-15H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 380.51 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 43924483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).