ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate

C24H30ClN3O5 — CID 42344375

IUPACethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(COC)n(CCc3ccccc3Cl)c(C)cc2=O)CC1
InChIInChI=1S/C24H30ClN3O5/c1-4-33-24(31)27-13-11-26(12-14-27)23(30)22-20(16-32-3)28(17(2)15-21(22)29)10-9-18-7-5-6-8-19(18)25/h5-8,15H,4,9-14,16H2,1-3H3
InChIKeyNFJQVTGHNSTPAN-UHFFFAOYSA-N
MW475.97 g/mol
LogP3.11
Rot. Bonds7

About ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 42344375) has the molecular formula C24H30ClN3O5 and a molecular weight of 475.97 g/mol. Its IUPAC name is ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID42344375
Molecular FormulaC24H30ClN3O5
Molecular Weight475.97 g/mol
Exact Mass475.19
IUPAC Nameethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(COC)n(CCc3ccccc3Cl)c(C)cc2=O)CC1
InChIInChI=1S/C24H30ClN3O5/c1-4-33-24(31)27-13-11-26(12-14-27)23(30)22-20(16-32-3)28(17(2)15-21(22)29)10-9-18-7-5-6-8-19(18)25/h5-8,15H,4,9-14,16H2,1-3H3
InChIKeyNFJQVTGHNSTPAN-UHFFFAOYSA-N
XLogP3.11
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42539683
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one
CID 42369810
ethyl 4-[(2-chlorophenyl)methyl]-4-methylpiperazin-4-ium-1-carboxylate
CID 3030267
ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
CID 113075233
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
ethyl 4-[2-(2-chlorophenyl)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 167801942
ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
CID 36841011
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
ethyl 4-[N-[[2-(methoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164164
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
ethyl 4-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111044387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate (CID 42344375) is ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(COC)n(CCc3ccccc3Cl)c(C)cc2=O)CC1.
What is the InChIKey of ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is NFJQVTGHNSTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O5/c1-4-33-24(31)27-13-11-26(12-14-27)23(30)22-20(16-32-3)28(17(2)15-21(22)29)10-9-18-7-5-6-8-19(18)25/h5-8,15H,4,9-14,16H2,1-3H3.
What are the key properties of ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 475.97 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42344375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).