1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one

C19H29N3O4S — CID 110422712

IUPAC1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-2-17-3-5-18(6-4-17)27(24,25)22-11-9-21(10-12-22)19(23)7-8-20-13-15-26-16-14-20/h3-6H,2,7-16H2,1H3
InChIKeyNPBOSXBJURLTNM-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.80
Rot. Bonds6

About 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 110422712) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID110422712
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-2-17-3-5-18(6-4-17)27(24,25)22-11-9-21(10-12-22)19(23)7-8-20-13-15-26-16-14-20/h3-6H,2,7-16H2,1H3
InChIKeyNPBOSXBJURLTNM-UHFFFAOYSA-N
XLogP0.80
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46479984
3-(diethylamino)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110422421
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422553
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422556
1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55976461
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 110422712) is 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one is CCc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is NPBOSXBJURLTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-2-17-3-5-18(6-4-17)27(24,25)22-11-9-21(10-12-22)19(23)7-8-20-13-15-26-16-14-20/h3-6H,2,7-16H2,1H3.
What are the key properties of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 395.53 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110422712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).