tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

C20H28N2O2 — CID 167048064

IUPACtert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C3CC3)nc1C2
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-10-8-20(9-11-22)12-15-6-7-16(14-4-5-14)21-17(15)13-20/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyYAFWZNYBNZKEBD-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.07
Rot. Bonds1

About tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (PubChem CID 167048064) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
PubChem CID167048064
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C3CC3)nc1C2
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-10-8-20(9-11-22)12-15-6-7-16(14-4-5-14)21-17(15)13-20/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyYAFWZNYBNZKEBD-UHFFFAOYSA-N
XLogP4.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864585
tert-butyl 4-[6-(2-cyclopentylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperidine-1-carboxylate
CID 170947691
tert-butyl 4-(3,3-dimethyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-6-yl)piperidine-1-carboxylate
CID 171104527
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 4-(2-oxospiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclohexane]-5-yl)piperidine-1-carboxylate
CID 171104303
tert-butyl 4-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 156902112
tert-butyl 1-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carboxylate
CID 58252479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (CID 167048064) is tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C3CC3)nc1C2.
What is the InChIKey of tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The InChIKey is YAFWZNYBNZKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-10-8-20(9-11-22)12-15-6-7-16(14-4-5-14)21-17(15)13-20/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 167048064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).