[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone

C17H25N3O3 — CID 96566251

IUPAC[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2C2OCCO2)c2n1CCCC2
InChIInChI=1S/C17H25N3O3/c1-12-18-15(13-6-2-4-8-19(12)13)16(21)20-9-5-3-7-14(20)17-22-10-11-23-17/h14,17H,2-11H2,1H3/t14-/m0/s1
InChIKeyRORBGEPWIPTOMH-AWEZNQCLSA-N
MW319.41 g/mol
LogP1.90
Rot. Bonds2

About [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone

[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 96566251) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID96566251
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2C2OCCO2)c2n1CCCC2
InChIInChI=1S/C17H25N3O3/c1-12-18-15(13-6-2-4-8-19(12)13)16(21)20-9-5-3-7-14(20)17-22-10-11-23-17/h14,17H,2-11H2,1H3/t14-/m0/s1
InChIKeyRORBGEPWIPTOMH-AWEZNQCLSA-N
XLogP1.90
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95280694
N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
CID 83878925
(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 95268925
methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98345519
3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075517
propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 95270006
[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 109074842
[3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 109074080
(4-methylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074603
(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95270014
morpholin-4-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074208
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone (CID 96566251) is [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2C2OCCO2)c2n1CCCC2.
What is the InChIKey of [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is RORBGEPWIPTOMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-18-15(13-6-2-4-8-19(12)13)16(21)20-9-5-3-7-14(20)17-22-10-11-23-17/h14,17H,2-11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone?
[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 96566251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).