(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone

C15H20N4O — CID 125421886

IUPAC(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone
SMILESC#CCN1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1
InChIInChI=1S/C15H20N4O/c1-2-5-17-6-8-18(9-7-17)15(20)13-3-4-14-10-16-12-19(14)11-13/h1,10,12-13H,3-9,11H2/t13-/m1/s1
InChIKeyZIHIUQQUVVKJHN-CYBMUJFWSA-N
MW272.35 g/mol
LogP0.22
Rot. Bonds2

About (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone

(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone (PubChem CID 125421886) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone
PubChem CID125421886
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone
SMILESC#CCN1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1
InChIInChI=1S/C15H20N4O/c1-2-5-17-6-8-18(9-7-17)15(20)13-3-4-14-10-16-12-19(14)11-13/h1,10,12-13H,3-9,11H2/t13-/m1/s1
InChIKeyZIHIUQQUVVKJHN-CYBMUJFWSA-N
XLogP0.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone (CID 125421886) is (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone is C#CCN1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1.
What is the InChIKey of (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is ZIHIUQQUVVKJHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-17-6-8-18(9-7-17)15(20)13-3-4-14-10-16-12-19(14)11-13/h1,10,12-13H,3-9,11H2/t13-/m1/s1.
What are the key properties of (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone?
(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 125421886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).