3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one

C14H17N5O — CID 62094299

IUPAC3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c20-14-13(7-4-8-15-14)16-9-11-10-17-19(18-11)12-5-2-1-3-6-12/h1-3,5-6,10,13,16H,4,7-9H2,(H,15,20)
InChIKeyHKTGPFCLHJVYSX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.64
Rot. Bonds4

About 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one

3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one (PubChem CID 62094299) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
PubChem CID62094299
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c20-14-13(7-4-8-15-14)16-9-11-10-17-19(18-11)12-5-2-1-3-6-12/h1-3,5-6,10,13,16H,4,7-9H2,(H,15,20)
InChIKeyHKTGPFCLHJVYSX-UHFFFAOYSA-N
XLogP0.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one (CID 62094299) is 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one is O=C1NCCCC1NCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is HKTGPFCLHJVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14-13(7-4-8-15-14)16-9-11-10-17-19(18-11)12-5-2-1-3-6-12/h1-3,5-6,10,13,16H,4,7-9H2,(H,15,20).
What are the key properties of 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one?
3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 62094299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).