1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

C19H24N4O3S — CID 66610937

IUPAC1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
InChIInChI=1S/C19H24N4O3S/c1-15-4-3-11-23(14-15)27(25,26)18-8-6-17(7-9-18)22-19(24)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H2,21,22,24)
InChIKeyJZDKLLUWMRZGCF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.82
Rot. Bonds5

About 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610937) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66610937
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1
InChIInChI=1S/C19H24N4O3S/c1-15-4-3-11-23(14-15)27(25,26)18-8-6-17(7-9-18)22-19(24)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H2,21,22,24)
InChIKeyJZDKLLUWMRZGCF-UHFFFAOYSA-N
XLogP2.82
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (CID 66610937) is 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1.
What is the InChIKey of 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is JZDKLLUWMRZGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15-4-3-11-23(14-15)27(25,26)18-8-6-17(7-9-18)22-19(24)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 388.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).