(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

C15H26N6O — CID 119064568

IUPAC(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCC(C)N1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O/c1-12(2)21-5-3-4-13(10-21)14(22)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIRAXEVUPPMQYCZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.57
Rot. Bonds3

About (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119064568) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID119064568
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCC(C)N1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O/c1-12(2)21-5-3-4-13(10-21)14(22)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIRAXEVUPPMQYCZ-UHFFFAOYSA-N
XLogP0.57
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 119064568) is (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is CC(C)N1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1.
What is the InChIKey of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IRAXEVUPPMQYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-12(2)21-5-3-4-13(10-21)14(22)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-13H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119064568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).