1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea

C19H24N4O — CID 167925516

IUPAC1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea
SMILESCC1C(NC(=O)Nc2ccnc(-c3ccccc3)c2)CCCN1C
InChIInChI=1S/C19H24N4O/c1-14-17(9-6-12-23(14)2)22-19(24)21-16-10-11-20-18(13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,17H,6,9,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyOEFFYLYXKFJTBE-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.35
Rot. Bonds3

About 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea

1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea (PubChem CID 167925516) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea
PubChem CID167925516
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea
SMILESCC1C(NC(=O)Nc2ccnc(-c3ccccc3)c2)CCCN1C
InChIInChI=1S/C19H24N4O/c1-14-17(9-6-12-23(14)2)22-19(24)21-16-10-11-20-18(13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,17H,6,9,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyOEFFYLYXKFJTBE-UHFFFAOYSA-N
XLogP3.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea?
The IUPAC name of 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea (CID 167925516) is 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea.
What is the SMILES notation for 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea?
The canonical SMILES for 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea is CC1C(NC(=O)Nc2ccnc(-c3ccccc3)c2)CCCN1C.
What is the InChIKey of 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea?
The InChIKey is OEFFYLYXKFJTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-17(9-6-12-23(14)2)22-19(24)21-16-10-11-20-18(13-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,17H,6,9,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea?
1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea has a molecular weight of 324.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea is sourced from PubChem (CID 167925516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).