1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C18H20N6O — CID 126766596

IUPAC1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(Nc1nc2ccccn2n1)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H20N6O/c25-18(21-17-20-16-10-4-5-12-24(16)22-17)19-14-7-6-11-23(13-14)15-8-2-1-3-9-15/h1-5,8-10,12,14H,6-7,11,13H2,(H2,19,21,22,25)
InChIKeyUXQAHHRMVOSBAK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.52
Rot. Bonds3

About 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 126766596) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID126766596
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(Nc1nc2ccccn2n1)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H20N6O/c25-18(21-17-20-16-10-4-5-12-24(16)22-17)19-14-7-6-11-23(13-14)15-8-2-1-3-9-15/h1-5,8-10,12,14H,6-7,11,13H2,(H2,19,21,22,25)
InChIKeyUXQAHHRMVOSBAK-UHFFFAOYSA-N
XLogP2.52
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
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CID 75457948
(1-phenylpiperidin-3-yl)urea
CID 121416777
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 126766596) is 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is O=C(Nc1nc2ccccn2n1)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is UXQAHHRMVOSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(21-17-20-16-10-4-5-12-24(16)22-17)19-14-7-6-11-23(13-14)15-8-2-1-3-9-15/h1-5,8-10,12,14H,6-7,11,13H2,(H2,19,21,22,25).
What are the key properties of 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperidin-3-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 126766596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).