tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate

C21H33NO4 — CID 72640505

IUPACtert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCC2CCCCC2)C1
InChIInChI=1S/C21H33NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyCKDURKBNEJOOGV-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate

tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate (PubChem CID 72640505) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
PubChem CID72640505
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Nametert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCC2CCCCC2)C1
InChIInChI=1S/C21H33NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3
InChIKeyCKDURKBNEJOOGV-UHFFFAOYSA-N
XLogP4.97
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)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 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640511
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
CID 91221582
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
CID 68561852
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
CID 70239687
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
CID 69224206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate (CID 72640505) is tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCC2CCCCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The InChIKey is CKDURKBNEJOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-21(2,3)26-20(23)22-11-9-18(17-10-12-24-15-17)19(13-22)25-14-16-7-5-4-6-8-16/h10,12,15-16,18-19H,4-9,11,13-14H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 72640505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).