(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone

C16H21N5O — CID 53489698

IUPAC(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
SMILESCc1cc(C)cc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1
InChIInChI=1S/C16H21N5O/c1-11-7-12(2)9-14(8-11)21-10-15(18-19-21)16(22)20-5-3-13(17)4-6-20/h7-10,13H,3-6,17H2,1-2H3
InChIKeyDXFLEQLIQQLYRA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.45
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone (PubChem CID 53489698) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
PubChem CID53489698
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
SMILESCc1cc(C)cc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1
InChIInChI=1S/C16H21N5O/c1-11-7-12(2)9-14(8-11)21-10-15(18-19-21)16(22)20-5-3-13(17)4-6-20/h7-10,13H,3-6,17H2,1-2H3
InChIKeyDXFLEQLIQQLYRA-UHFFFAOYSA-N
XLogP1.45
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone (CID 53489698) is (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone is Cc1cc(C)cc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone?
The InChIKey is DXFLEQLIQQLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-12(2)9-14(8-11)21-10-15(18-19-21)16(22)20-5-3-13(17)4-6-20/h7-10,13H,3-6,17H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.45, 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-(3,5-dimethylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 53489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).