(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone

C15H21N3O — CID 66585129

IUPAC(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C)N2C=C(C(=O)N3CCCCC3)NC2C=C1
InChIInChI=1S/C15H21N3O/c1-11-6-7-14-16-13(10-18(14)12(11)2)15(19)17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9H2,1-2H3
InChIKeyKETWNFUFHGWLKG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.94
Rot. Bonds1

About (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone

(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone (PubChem CID 66585129) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
PubChem CID66585129
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C)N2C=C(C(=O)N3CCCCC3)NC2C=C1
InChIInChI=1S/C15H21N3O/c1-11-6-7-14-16-13(10-18(14)12(11)2)15(19)17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9H2,1-2H3
InChIKeyKETWNFUFHGWLKG-UHFFFAOYSA-N
XLogP1.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone (CID 66585129) is (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone is CC1=C(C)N2C=C(C(=O)N3CCCCC3)NC2C=C1.
What is the InChIKey of (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is KETWNFUFHGWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-6-7-14-16-13(10-18(14)12(11)2)15(19)17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9H2,1-2H3.
What are the key properties of (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone?
(5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 66585129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).