1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea

C19H24N4O3S — CID 66611089

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H24N4O3S/c24-19(21-12-10-16-5-4-11-20-15-16)22-17-6-8-18(9-7-17)27(25,26)23-13-2-1-3-14-23/h4-9,11,15H,1-3,10,12-14H2,(H2,21,22,24)
InChIKeyMRRDXYOPUFNHJV-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.62
Rot. Bonds6

About 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea

1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 66611089) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID66611089
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H24N4O3S/c24-19(21-12-10-16-5-4-11-20-15-16)22-17-6-8-18(9-7-17)27(25,26)23-13-2-1-3-14-23/h4-9,11,15H,1-3,10,12-14H2,(H2,21,22,24)
InChIKeyMRRDXYOPUFNHJV-UHFFFAOYSA-N
XLogP2.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.62
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-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea (CID 66611089) is 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea is O=C(NCCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is MRRDXYOPUFNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(21-12-10-16-5-4-11-20-15-16)22-17-6-8-18(9-7-17)27(25,26)23-13-2-1-3-14-23/h4-9,11,15H,1-3,10,12-14H2,(H2,21,22,24).
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea?
1-(4-piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 388.49 g/mol, XLogP of 2.62, 6 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-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 66611089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).