ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate

C20H25ClN4O4 — CID 45107060

IUPACethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)CC1
InChIInChI=1S/C20H25ClN4O4/c1-2-29-20(28)24-11-9-16(10-12-24)22-18(26)13-25-19(27)8-7-17(23-25)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,26)
InChIKeyANVNSGLLSRFQQN-UHFFFAOYSA-N
MW420.90 g/mol
LogP2.40
Rot. Bonds5

About ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 45107060) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID45107060
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Nameethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)CC1
InChIInChI=1S/C20H25ClN4O4/c1-2-29-20(28)24-11-9-16(10-12-24)22-18(26)13-25-19(27)8-7-17(23-25)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,26)
InChIKeyANVNSGLLSRFQQN-UHFFFAOYSA-N
XLogP2.40
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
ethyl 4-{N-[(4-chlorophenyl)acetyl]glycyl}-1-piperazinecarboxylate
CID 2976929
ethyl 4-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate
CID 3239673
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
ethyl 4-{3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanoyl}piperazine-1-carboxylate
CID 3236650
ethyl 4-{[(6-oxo-3-phenylpyridazin-1(6H)-yl)acetyl]amino}piperidine-1-carboxylate
CID 3237755
N-[2-(4-Chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034256
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[2-(diisobutylamino)ethyl]acetamide
CID 20968208

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate (CID 45107060) is ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2N=C(c3ccc(Cl)cc3)CCC2=O)CC1.
What is the InChIKey of ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ANVNSGLLSRFQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c1-2-29-20(28)24-11-9-16(10-12-24)22-18(26)13-25-19(27)8-7-17(23-25)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,26).
What are the key properties of ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 420.90 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45107060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).