tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C24H36N2O2 — CID 167141572

IUPACtert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCCCC1c1ccccc1)C2
InChIInChI=1S/C24H36N2O2/c1-23(2,3)28-22(27)25-15-13-24(14-16-25)17-26(18-24)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-6,9-10,20-21H,7-8,11-18H2,1-3H3
InChIKeyIAKTXYMOVPIDBU-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.05
Rot. Bonds2

About tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 167141572) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID167141572
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Nametert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCCCC1c1ccccc1)C2
InChIInChI=1S/C24H36N2O2/c1-23(2,3)28-22(27)25-15-13-24(14-16-25)17-26(18-24)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-6,9-10,20-21H,7-8,11-18H2,1-3H3
InChIKeyIAKTXYMOVPIDBU-UHFFFAOYSA-N
XLogP5.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (2S,3S)-2,3-diphenylspiro[2,3,5,7-tetrahydropyrrolo[1,2-a]imidazole-6,4'-piperidine]-1'-carboxylate
CID 134946078
tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
(2R,3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-2-carboxylic acid
CID 66523283
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl 9-(azetidin-1-yl)-9-phenyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 67354921
1-azabicyclo[2.2.2]octane;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 145196353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 167141572) is tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCCCC1c1ccccc1)C2.
What is the InChIKey of tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is IAKTXYMOVPIDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-23(2,3)28-22(27)25-15-13-24(14-16-25)17-26(18-24)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-6,9-10,20-21H,7-8,11-18H2,1-3H3.
What are the key properties of tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 384.56 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 167141572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).