ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate

C24H28ClN3O4 — CID 5309247

IUPACethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1
InChIInChI=1S/C24H28ClN3O4/c1-2-32-24(31)27-12-10-16(11-13-27)26-22(29)15-28-21-9-5-7-18(21)19(14-23(28)30)17-6-3-4-8-20(17)25/h3-4,6,8,14,16H,2,5,7,9-13,15H2,1H3,(H,26,29)
InChIKeySTMMMTLOMTZTRZ-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.39
Rot. Bonds5

About ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 5309247) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID5309247
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Nameethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1
InChIInChI=1S/C24H28ClN3O4/c1-2-32-24(31)27-12-10-16(11-13-27)26-22(29)15-28-21-9-5-7-18(21)19(14-23(28)30)17-6-3-4-8-20(17)25/h3-4,6,8,14,16H,2,5,7,9-13,15H2,1H3,(H,26,29)
InChIKeySTMMMTLOMTZTRZ-UHFFFAOYSA-N
XLogP3.39
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
CID 4582333
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 4582956
N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
CID 4582945
2-[4-(2-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4582954
Ethyl 4-{2-[(2-chlorobenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carboxylate
CID 16194063
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide
CID 4582331
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-(2-phenylethyl)acetamide
CID 4582337
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-[(2-chlorophenyl)methyl]acetamide
CID 4582952
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide
CID 6624508
Ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932289
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-cyclopentylacetamide
CID 20968910
Ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]amino]piperidine-1-carboxylate
CID 17475852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate (CID 5309247) is ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1.
What is the InChIKey of ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is STMMMTLOMTZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-2-32-24(31)27-12-10-16(11-13-27)26-22(29)15-28-21-9-5-7-18(21)19(14-23(28)30)17-6-3-4-8-20(17)25/h3-4,6,8,14,16H,2,5,7,9-13,15H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 457.96 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 5309247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).