1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one

C15H21N3O — CID 138989228

IUPAC1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C15H21N3O/c1-2-14(19)17-9-6-12(7-10-17)15-16-11-13-5-3-4-8-18(13)15/h2,11-12H,1,3-10H2
InChIKeyYRFPVGKXVPHNLI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds2

About 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one

1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 138989228) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
PubChem CID138989228
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C15H21N3O/c1-2-14(19)17-9-6-12(7-10-17)15-16-11-13-5-3-4-8-18(13)15/h2,11-12H,1,3-10H2
InChIKeyYRFPVGKXVPHNLI-UHFFFAOYSA-N
XLogP2.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one (CID 138989228) is 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(c2ncc3n2CCCC3)CC1.
What is the InChIKey of 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is YRFPVGKXVPHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-14(19)17-9-6-12(7-10-17)15-16-11-13-5-3-4-8-18(13)15/h2,11-12H,1,3-10H2.
What are the key properties of 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 138989228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).