tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate

C23H34N2O5 — CID 67558657

IUPACtert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate
SMILESCOC(=O)C/C=C(/CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)nc1
InChIInChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-14-12-17(13-15-25)6-7-18(9-11-21(26)29-5)19-8-10-20(28-4)24-16-19/h8-10,16-17H,6-7,11-15H2,1-5H3/b18-9-
InChIKeyPQZXVFUDFDGCCW-NVMNQCDNSA-N
MW418.53 g/mol
LogP4.46
Rot. Bonds7

About tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate

tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate (PubChem CID 67558657) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate
PubChem CID67558657
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Nametert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate
SMILESCOC(=O)C/C=C(/CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)nc1
InChIInChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-14-12-17(13-15-25)6-7-18(9-11-21(26)29-5)19-8-10-20(28-4)24-16-19/h8-10,16-17H,6-7,11-15H2,1-5H3/b18-9-
InChIKeyPQZXVFUDFDGCCW-NVMNQCDNSA-N
XLogP4.46
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]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

6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
tert-butyl 4-[[4-[4-(3-methoxy-3-oxopropyl)piperidine-1-carbonyl]anilino]methyl]piperidine-1-carboxylate
CID 67803080
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
CID 142509410
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
tert-butyl 4-[(Z)-5-methoxy-3-(6-methoxy-3-pyridinyl)-5-oxopent-3-enyl]piperidine-1-carboxylate;tert-butyl 4-[5-methoxy-3-(6-methoxy-3-pyridinyl)-5-oxopentyl]piperidine-1-carboxylate;5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-(6-methoxy-3-pyridinyl)pentanoic acid;methyl 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-(6-methoxy-3-pyridinyl)pentanoate;methyl 3-(6-methoxy-3-pyridinyl)-5-piperidin-4-ylpentanoate;dihydrochloride
CID 162155721
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
tert-butyl 4-[[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 178111899
tert-butyl 4-[2-[(5-nitro-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630071
tert-butyl 4-hydroxy-4-[3-(6-methoxy-3-pyridinyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464421

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate (CID 67558657) is tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate is COC(=O)C/C=C(/CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)nc1.
What is the InChIKey of tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate?
The InChIKey is PQZXVFUDFDGCCW-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-23(2,3)30-22(27)25-14-12-17(13-15-25)6-7-18(9-11-21(26)29-5)19-8-10-20(28-4)24-16-19/h8-10,16-17H,6-7,11-15H2,1-5H3/b18-9-.
What are the key properties of tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate has a molecular weight of 418.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 67558657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).