methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate

C21H21N3O3 — CID 108810625

IUPACmethyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccn3cc(-c4ccccc4)nc3c2)C1
InChIInChI=1S/C21H21N3O3/c1-27-21(26)17-8-5-10-24(13-17)20(25)16-9-11-23-14-18(22-19(23)12-16)15-6-3-2-4-7-15/h2-4,6-7,9,11-12,14,17H,5,8,10,13H2,1H3
InChIKeyCCXHCHPLIUBNJB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.03
Rot. Bonds3

About methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate

methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate (PubChem CID 108810625) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
PubChem CID108810625
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccn3cc(-c4ccccc4)nc3c2)C1
InChIInChI=1S/C21H21N3O3/c1-27-21(26)17-8-5-10-24(13-17)20(25)16-9-11-23-14-18(22-19(23)12-16)15-6-3-2-4-7-15/h2-4,6-7,9,11-12,14,17H,5,8,10,13H2,1H3
InChIKeyCCXHCHPLIUBNJB-UHFFFAOYSA-N
XLogP3.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate
CID 112531599
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
methyl (3S)-1-(5-iodothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78949048
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate (CID 108810625) is methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2ccn3cc(-c4ccccc4)nc3c2)C1.
What is the InChIKey of methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The InChIKey is CCXHCHPLIUBNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-21(26)17-8-5-10-24(13-17)20(25)16-9-11-23-14-18(22-19(23)12-16)15-6-3-2-4-7-15/h2-4,6-7,9,11-12,14,17H,5,8,10,13H2,1H3.
What are the key properties of methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 108810625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).