ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate

C21H30N2O5 — CID 130406341

IUPACethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)ncc1OCC
InChIInChI=1S/C21H30N2O5/c1-6-26-18-14-22-16(13-17(18)19(24)27-7-2)12-15-8-10-23(11-9-15)20(25)28-21(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyKBQGYURLLADXTD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.07
Rot. Bonds5

About ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate

ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate (PubChem CID 130406341) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate
PubChem CID130406341
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Nameethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)ncc1OCC
InChIInChI=1S/C21H30N2O5/c1-6-26-18-14-22-16(13-17(18)19(24)27-7-2)12-15-8-10-23(11-9-15)20(25)28-21(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyKBQGYURLLADXTD-UHFFFAOYSA-N
XLogP4.07
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate with MolForge

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Related Compounds

CID 153307667
CID 153307667
tert-butyl 4-[(5-cyano-2-pyridinyl)methylidene]piperidine-1-carboxylate
CID 163385544
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
CID 144814934
tert-butyl 4-[[3-ethoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate;hydrochloride
CID 140530678
tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
tert-butyl (4Z)-4-(2-oxoethylidene)azepane-1-carboxylate
CID 87589381
tert-butyl 4-butylidenepiperidine-1-carboxylate
CID 22970158
tert-butyl 4-(3-ethoxycarbonyl-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate
CID 168882269
tert-butyl 4-[1-(4-amino-5-ethoxy-2-methylphenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 163939977
tert-butyl (3Z)-3-(1,3-thiazol-4-ylmethylidene)pyrrolidine-1-carboxylate;ethane
CID 144843928
tert-butyl 4-(4-ethoxycarbonyl-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170727423

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate (CID 130406341) is ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate is CCOC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)ncc1OCC.
What is the InChIKey of ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate?
The InChIKey is KBQGYURLLADXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-6-26-18-14-22-16(13-17(18)19(24)27-7-2)12-15-8-10-23(11-9-15)20(25)28-21(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate?
ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 130406341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).