ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate

C24H30N4O4 — CID 11956461

IUPACethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(N(C)C(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C24H30N4O4/c1-3-32-24(31)18-12-15-27(16-13-18)23(30)20-21(25-19-11-7-8-14-28(19)20)26(2)22(29)17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3
InChIKeyINRGFCDYRWLIBM-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.91
Rot. Bonds5

About ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 11956461) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
PubChem CID11956461
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Nameethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(N(C)C(=O)c3ccccc3)nc3n2CCCC3)CC1
InChIInChI=1S/C24H30N4O4/c1-3-32-24(31)18-12-15-27(16-13-18)23(30)20-21(25-19-11-7-8-14-28(19)20)26(2)22(29)17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3
InChIKeyINRGFCDYRWLIBM-UHFFFAOYSA-N
XLogP2.91
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68768473
ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
CID 68901043
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
CID 68903510
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
ethyl 1-[4-[benzyl(methyl)amino]-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42820759
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate (CID 11956461) is ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(N(C)C(=O)c3ccccc3)nc3n2CCCC3)CC1.
What is the InChIKey of ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is INRGFCDYRWLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-32-24(31)18-12-15-27(16-13-18)23(30)20-21(25-19-11-7-8-14-28(19)20)26(2)22(29)17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3.
What are the key properties of ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 11956461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).