2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one

C24H24N4O — CID 56871829

IUPAC2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESO=c1n(Cc2cccc3ccccc23)nc(C2CCCNC2)n1-c1ccccc1
InChIInChI=1S/C24H24N4O/c29-24-27(17-20-10-6-9-18-8-4-5-14-22(18)20)26-23(19-11-7-15-25-16-19)28(24)21-12-2-1-3-13-21/h1-6,8-10,12-14,19,25H,7,11,15-17H2
InChIKeyPRMOGFVRVNAIST-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.70
Rot. Bonds4

About 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one

2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one (PubChem CID 56871829) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
PubChem CID56871829
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESO=c1n(Cc2cccc3ccccc23)nc(C2CCCNC2)n1-c1ccccc1
InChIInChI=1S/C24H24N4O/c29-24-27(17-20-10-6-9-18-8-4-5-14-22(18)20)26-23(19-11-7-15-25-16-19)28(24)21-12-2-1-3-13-21/h1-6,8-10,12-14,19,25H,7,11,15-17H2
InChIKeyPRMOGFVRVNAIST-UHFFFAOYSA-N
XLogP3.70
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one (CID 56871829) is 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one is O=c1n(Cc2cccc3ccccc23)nc(C2CCCNC2)n1-c1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one?
The InChIKey is PRMOGFVRVNAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24-27(17-20-10-6-9-18-8-4-5-14-22(18)20)26-23(19-11-7-15-25-16-19)28(24)21-12-2-1-3-13-21/h1-6,8-10,12-14,19,25H,7,11,15-17H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one?
2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one has a molecular weight of 384.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 56871829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).