(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone

C10H16N4O — CID 84734247

IUPAC(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone
SMILESCCn1nncc1C(=O)C1CCCNC1
InChIInChI=1S/C10H16N4O/c1-2-14-9(7-12-13-14)10(15)8-4-3-5-11-6-8/h7-8,11H,2-6H2,1H3
InChIKeyZFHSRBPNHLTLOD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds3

About (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone

(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone (PubChem CID 84734247) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone
PubChem CID84734247
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone
SMILESCCn1nncc1C(=O)C1CCCNC1
InChIInChI=1S/C10H16N4O/c1-2-14-9(7-12-13-14)10(15)8-4-3-5-11-6-8/h7-8,11H,2-6H2,1H3
InChIKeyZFHSRBPNHLTLOD-UHFFFAOYSA-N
XLogP0.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone?
The IUPAC name of (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone (CID 84734247) is (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone is CCn1nncc1C(=O)C1CCCNC1.
What is the InChIKey of (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone?
The InChIKey is ZFHSRBPNHLTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-9(7-12-13-14)10(15)8-4-3-5-11-6-8/h7-8,11H,2-6H2,1H3.
What are the key properties of (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone?
(3-ethyltriazol-4-yl)-piperidin-3-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 84734247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).