tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate

C18H26N2O2 — CID 135741413

IUPACtert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)C2(CCCN2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-15(14-8-5-4-6-9-14)18(13-20)10-7-11-19-18/h4-6,8-9,15,19H,7,10-13H2,1-3H3
InChIKeyJJNPTJKXUZDPPW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 135741413) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID135741413
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)C2(CCCN2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-15(14-8-5-4-6-9-14)18(13-20)10-7-11-19-18/h4-6,8-9,15,19H,7,10-13H2,1-3H3
InChIKeyJJNPTJKXUZDPPW-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
CID 115053003
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 134957795
(2R,3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-1-oxa-4-azaspiro[4.5]decane-2-carboxylic acid
CID 71534303
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate (CID 135741413) is tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccccc2)C2(CCCN2)C1.
What is the InChIKey of tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is JJNPTJKXUZDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-15(14-8-5-4-6-9-14)18(13-20)10-7-11-19-18/h4-6,8-9,15,19H,7,10-13H2,1-3H3.
What are the key properties of tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 135741413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).