[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone

C22H34N4O2 — CID 109074842

IUPAC[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nc(C(=O)N2CCC(C)CC2)c2n1CCCC2
InChIInChI=1S/C22H34N4O2/c1-3-17-8-4-6-12-25(17)22(28)20-23-19(18-9-5-7-13-26(18)20)21(27)24-14-10-16(2)11-15-24/h16-17H,3-15H2,1-2H3
InChIKeyAABBVJQJAHVTDQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.50
Rot. Bonds3

About [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone

[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109074842) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109074842
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nc(C(=O)N2CCC(C)CC2)c2n1CCCC2
InChIInChI=1S/C22H34N4O2/c1-3-17-8-4-6-12-25(17)22(28)20-23-19(18-9-5-7-13-26(18)20)21(27)24-14-10-16(2)11-15-24/h16-17H,3-15H2,1-2H3
InChIKeyAABBVJQJAHVTDQ-UHFFFAOYSA-N
XLogP3.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 109074080
[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 109074845
(4-methylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074603
3-(2-ethylpiperidine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077263
1-(4-methylpiperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072570
3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075517
(3-methylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074645
3-(2-ethylpiperidine-1-carbonyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077261
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074257
N-(3-methoxypropyl)-3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074873
1-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074834
azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109071586

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 109074842) is [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1nc(C(=O)N2CCC(C)CC2)c2n1CCCC2.
What is the InChIKey of [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AABBVJQJAHVTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-17-8-4-6-12-25(17)22(28)20-23-19(18-9-5-7-13-26(18)20)21(27)24-14-10-16(2)11-15-24/h16-17H,3-15H2,1-2H3.
What are the key properties of [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 386.54 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109074842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).