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

C14H24N6O — CID 119059286

IUPAC(1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C14H24N6O/c1-2-18-5-3-4-12(10-18)13(21)19-6-8-20(9-7-19)14-15-11-16-17-14/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyGIRGPKQRZRCPPQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.19
Rot. Bonds3

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

(1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119059286) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID119059286
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C14H24N6O/c1-2-18-5-3-4-12(10-18)13(21)19-6-8-20(9-7-19)14-15-11-16-17-14/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyGIRGPKQRZRCPPQ-UHFFFAOYSA-N
XLogP0.19
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 119059286) is (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is CCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is GIRGPKQRZRCPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-2-18-5-3-4-12(10-18)13(21)19-6-8-20(9-7-19)14-15-11-16-17-14/h11-12H,2-10H2,1H3,(H,15,16,17).
What are the key properties of (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
(1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 292.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119059286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).