1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea

C18H22N4O3S — CID 51264526

IUPAC1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccnc1
InChIInChI=1S/C18H22N4O3S/c23-18(21-16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)26(24,25)22-11-2-1-3-12-22/h4-10,14H,1-3,11-13H2,(H2,20,21,23)
InChIKeyMHRLEPKJWHLJRE-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.58
Rot. Bonds5

About 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea (PubChem CID 51264526) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea
PubChem CID51264526
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccnc1
InChIInChI=1S/C18H22N4O3S/c23-18(21-16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)26(24,25)22-11-2-1-3-12-22/h4-10,14H,1-3,11-13H2,(H2,20,21,23)
InChIKeyMHRLEPKJWHLJRE-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

Analyze 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea 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-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea (CID 51264526) is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccnc1.
What is the InChIKey of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea?
The InChIKey is MHRLEPKJWHLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-18(21-16-5-4-10-19-14-16)20-13-15-6-8-17(9-7-15)26(24,25)22-11-2-1-3-12-22/h4-10,14H,1-3,11-13H2,(H2,20,21,23).
What are the key properties of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea?
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyridin-3-ylurea 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)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 51264526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).