(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C17H26N2O3S — CID 47886259

IUPAC(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCN(S(=O)(=O)CCC)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-5-15-6-8-16(9-7-15)17(20)18-10-12-19(13-11-18)23(21,22)14-4-2/h6-9H,3-5,10-14H2,1-2H3
InChIKeyYKQUGTOSXKKRLX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.14
Rot. Bonds6

About (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 47886259) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID47886259
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCN(S(=O)(=O)CCC)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-5-15-6-8-16(9-7-15)17(20)18-10-12-19(13-11-18)23(21,22)14-4-2/h6-9H,3-5,10-14H2,1-2H3
InChIKeyYKQUGTOSXKKRLX-UHFFFAOYSA-N
XLogP2.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
(2-bromo-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103754452
1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 91954866
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
CID 52755296

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 47886259) is (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCc1ccc(C(=O)N2CCN(S(=O)(=O)CCC)CC2)cc1.
What is the InChIKey of (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YKQUGTOSXKKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-5-15-6-8-16(9-7-15)17(20)18-10-12-19(13-11-18)23(21,22)14-4-2/h6-9H,3-5,10-14H2,1-2H3.
What are the key properties of (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 338.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47886259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).