ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate

C23H30N4O4 — CID 33370979

IUPACethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C23H30N4O4/c1-3-31-23(29)19-6-9-21(25-16-19)27-14-12-26(13-15-27)17-22(28)24-11-10-18-4-7-20(30-2)8-5-18/h4-9,16H,3,10-15,17H2,1-2H3,(H,24,28)
InChIKeyMSUDUFYPNZWSMG-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.75
Rot. Bonds9

About ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 33370979) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID33370979
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nameethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C23H30N4O4/c1-3-31-23(29)19-6-9-21(25-16-19)27-14-12-26(13-15-27)17-22(28)24-11-10-18-4-7-20(30-2)8-5-18/h4-9,16H,3,10-15,17H2,1-2H3,(H,24,28)
InChIKeyMSUDUFYPNZWSMG-UHFFFAOYSA-N
XLogP1.75
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775769
ethyl 6-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33373036
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
ethyl 6-[4-[(4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 51128296
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522768
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
ethyl 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 56526112
ethyl 6-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775271
ethyl 4-[[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948861

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate (CID 33370979) is ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(OC)cc3)CC2)nc1.
What is the InChIKey of ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is MSUDUFYPNZWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-31-23(29)19-6-9-21(25-16-19)27-14-12-26(13-15-27)17-22(28)24-11-10-18-4-7-20(30-2)8-5-18/h4-9,16H,3,10-15,17H2,1-2H3,(H,24,28).
What are the key properties of ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 33370979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).