ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate

C22H26N2O7 — CID 42317305

IUPACethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
InChIInChI=1S/C22H26N2O7/c1-3-29-22(27)24-9-7-16(8-10-24)23-21(26)19-12-18(25)20(14-31-19)30-13-15-5-4-6-17(11-15)28-2/h4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,23,26)
InChIKeyATCKDOIUHDPUFD-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.58
Rot. Bonds7

About ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 42317305) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID42317305
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Nameethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1
InChIInChI=1S/C22H26N2O7/c1-3-29-22(27)24-9-7-16(8-10-24)23-21(26)19-12-18(25)20(14-31-19)30-13-15-5-4-6-17(11-15)28-2/h4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,23,26)
InChIKeyATCKDOIUHDPUFD-UHFFFAOYSA-N
XLogP2.58
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227002
5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
ethyl 4-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352783
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
ethyl 4-[[N'-[3-(3-methoxyphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111816962
ethyl 4-[[N-[2-[(3-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329544
ethyl 4-[[N'-[[3-(methoxymethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111054044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate (CID 42317305) is ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1.
What is the InChIKey of ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is ATCKDOIUHDPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-3-29-22(27)24-9-7-16(8-10-24)23-21(26)19-12-18(25)20(14-31-19)30-13-15-5-4-6-17(11-15)28-2/h4-6,11-12,14,16H,3,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42317305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).