tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

C18H24N2O3 — CID 155388346

IUPACtert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCc1cnc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C18H24N2O3/c1-12-9-13-14(19-11-12)10-18(15(13)21)5-7-20(8-6-18)16(22)23-17(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyQCZXYHLKRQKVTR-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.15
Rot. Bonds

About tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (PubChem CID 155388346) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
PubChem CID155388346
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCc1cnc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C18H24N2O3/c1-12-9-13-14(19-11-12)10-18(15(13)21)5-7-20(8-6-18)16(22)23-17(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyQCZXYHLKRQKVTR-UHFFFAOYSA-N
XLogP3.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823
tert-butyl 5-methylsulfanyl-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142433829
tert-butyl 6-isocyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 156626381
tert-butyl 4,5,6-trifluoro-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142434181
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
CID 176821528
tert-butyl 6-methyl-1,1,4-trioxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
CID 59311916
tert-butyl (5Z)-5-[(R)-tert-butylsulfinyl]imino-3-(oxan-2-yloxymethyl)spiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 176551159
tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane
CID 144753701
tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate
CID 174055603
tert-butyl 9-methyl-11-oxo-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 177462092
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4-bromo-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 155401145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (CID 155388346) is tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is Cc1cnc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The InChIKey is QCZXYHLKRQKVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-9-13-14(19-11-12)10-18(15(13)21)5-7-20(8-6-18)16(22)23-17(2,3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 155388346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).