1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea

C18H22N4O3S — CID 66610798

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N4O3S/c23-18(20-14-15-5-4-10-19-13-15)21-16-6-8-17(9-7-16)26(24,25)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H2,20,21,23)
InChIKeyVFUBXJZFMGISAM-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610798) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID66610798
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N4O3S/c23-18(20-14-15-5-4-10-19-13-15)21-16-6-8-17(9-7-16)26(24,25)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H2,20,21,23)
InChIKeyVFUBXJZFMGISAM-UHFFFAOYSA-N
XLogP2.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 66610798) is 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is VFUBXJZFMGISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-18(20-14-15-5-4-10-19-13-15)21-16-6-8-17(9-7-16)26(24,25)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H2,20,21,23).
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 374.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).