tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate

C23H28N2O3 — CID 68948434

IUPACtert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1
InChIInChI=1S/C23H28N2O3/c1-17-8-9-21(24-16-17)27-20-7-5-6-19(15-20)14-18-10-12-25(13-11-18)22(26)28-23(2,3)4/h5-9,14-16H,10-13H2,1-4H3
InChIKeySJXNFEQRVVTBQQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.60
Rot. Bonds3

About tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate

tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate (PubChem CID 68948434) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
PubChem CID68948434
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1
InChIInChI=1S/C23H28N2O3/c1-17-8-9-21(24-16-17)27-20-7-5-6-19(15-20)14-18-10-12-25(13-11-18)22(26)28-23(2,3)4/h5-9,14-16H,10-13H2,1-4H3
InChIKeySJXNFEQRVVTBQQ-UHFFFAOYSA-N
XLogP5.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]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

tert-butyl 4-[[3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate
CID 66875728
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
tert-butyl 4-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]methylidene]piperidine-1-carboxylate
CID 66876113
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
4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylic acid
CID 66875745
5-bromo-2-[3-(diethoxyphosphorylmethyl)phenoxy]pyrimidine;tert-butyl 4-[[3-(5-bromopyrimidin-2-yl)oxyphenyl]methylidene]piperidine-1-carboxylate
CID 157358123
1-(6-amino-2-fluoro-3-pyridinyl)-2-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]ethanone
CID 158653331
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
4-[[3-methyl-5-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexan-1-one
CID 129252130
4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66875738

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate (CID 68948434) is tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1.
What is the InChIKey of tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The InChIKey is SJXNFEQRVVTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-8-9-21(24-16-17)27-20-7-5-6-19(15-20)14-18-10-12-25(13-11-18)22(26)28-23(2,3)4/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate is sourced from PubChem (CID 68948434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).