1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea

C15H23N3O3S — CID 32525222

IUPAC1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19)
InChIKeyVGUZFUNSZVXPFJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.30
Rot. Bonds5

About 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea

1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea (PubChem CID 32525222) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
PubChem CID32525222
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19)
InChIKeyVGUZFUNSZVXPFJ-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
1-(1-methylsulfonylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)urea
CID 110706203
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 36976502
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47024868
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea (CID 32525222) is 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea is CCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The InChIKey is VGUZFUNSZVXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(20,21)18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea?
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea has a molecular weight of 325.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 32525222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).