1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one

C17H26N2O4S — CID 110298406

IUPAC1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(2)23-15-4-6-16(7-5-15)24(21,22)13-8-17(20)19-11-9-18(3)10-12-19/h4-7,14H,8-13H2,1-3H3
InChIKeyLIJZSMSSWBPWRA-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.41
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one

1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one (PubChem CID 110298406) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
PubChem CID110298406
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(2)23-15-4-6-16(7-5-15)24(21,22)13-8-17(20)19-11-9-18(3)10-12-19/h4-7,14H,8-13H2,1-3H3
InChIKeyLIJZSMSSWBPWRA-UHFFFAOYSA-N
XLogP1.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110298398
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110416540
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301624
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
CID 110294965
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4101950
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
1-[4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796548
2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43217887
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one (CID 110298406) is 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one is CC(C)Oc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
The InChIKey is LIJZSMSSWBPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14(2)23-15-4-6-16(7-5-15)24(21,22)13-8-17(20)19-11-9-18(3)10-12-19/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one?
1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one has a molecular weight of 354.47 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 110298406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).