ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate

C21H26N4O3 — CID 46080879

IUPACethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2)C3)CC1
InChIInChI=1S/C21H26N4O3/c1-2-28-21(27)24-12-10-23(11-13-24)20(26)18-15-25-14-17(8-9-19(25)22-18)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyIUWISTVHFIGKEU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.53
Rot. Bonds3

About ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 46080879) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID46080879
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nameethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2)C3)CC1
InChIInChI=1S/C21H26N4O3/c1-2-28-21(27)24-12-10-23(11-13-24)20(26)18-15-25-14-17(8-9-19(25)22-18)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyIUWISTVHFIGKEU-UHFFFAOYSA-N
XLogP2.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 93013241
(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080938
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46081124
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080951
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 98408994
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013303

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate (CID 46080879) is ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn3c(n2)CCC(c2ccccc2)C3)CC1.
What is the InChIKey of ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is IUWISTVHFIGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-28-21(27)24-12-10-23(11-13-24)20(26)18-15-25-14-17(8-9-19(25)22-18)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3.
What are the key properties of ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 46080879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).