(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

C20H29N3O2 — CID 110418675

IUPAC(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2nc(C(C)(C)C)n3ccccc23)C1
InChIInChI=1S/C20H29N3O2/c1-5-25-14-15-9-8-11-22(13-15)18(24)17-16-10-6-7-12-23(16)19(21-17)20(2,3)4/h6-7,10,12,15H,5,8-9,11,13-14H2,1-4H3
InChIKeyWPUFAVNSDHSICG-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.52
Rot. Bonds4

About (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (PubChem CID 110418675) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
PubChem CID110418675
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2nc(C(C)(C)C)n3ccccc23)C1
InChIInChI=1S/C20H29N3O2/c1-5-25-14-15-9-8-11-22(13-15)18(24)17-16-10-6-7-12-23(16)19(21-17)20(2,3)4/h6-7,10,12,15H,5,8-9,11,13-14H2,1-4H3
InChIKeyWPUFAVNSDHSICG-UHFFFAOYSA-N
XLogP3.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633201
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[3-(ethoxymethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110416469
2-tert-butyl-5-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 136778283
[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone
CID 71983295
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95378554
[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 109071584
[3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-morpholin-4-ylmethanone
CID 109069309
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
(3-methylimidazo[1,5-a]pyridin-1-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95775907

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (CID 110418675) is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is CCOCC1CCCN(C(=O)c2nc(C(C)(C)C)n3ccccc23)C1.
What is the InChIKey of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is WPUFAVNSDHSICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-25-14-15-9-8-11-22(13-15)18(24)17-16-10-6-7-12-23(16)19(21-17)20(2,3)4/h6-7,10,12,15H,5,8-9,11,13-14H2,1-4H3.
What are the key properties of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110418675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).