(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone

C14H17N5O — CID 66485052

IUPAC(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
SMILESNC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C14H17N5O/c15-11-6-8-18(9-7-11)14(20)13-10-19(17-16-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9,15H2
InChIKeyIPOBLCZYKOCNLX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.83
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone

(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone (PubChem CID 66485052) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
PubChem CID66485052
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
SMILESNC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C14H17N5O/c15-11-6-8-18(9-7-11)14(20)13-10-19(17-16-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9,15H2
InChIKeyIPOBLCZYKOCNLX-UHFFFAOYSA-N
XLogP0.83
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone (CID 66485052) is (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone is NC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone?
The InChIKey is IPOBLCZYKOCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-11-6-8-18(9-7-11)14(20)13-10-19(17-16-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9,15H2.
What are the key properties of (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone?
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 66485052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).