phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C17H24N2O2 — CID 3234990

IUPACphenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c1-18-11-5-8-17(14-18)9-12-19(13-10-17)16(20)21-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyPBBLMZRXFJCFEL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.99
Rot. Bonds1

About phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3234990) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3234990
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namephenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c1-18-11-5-8-17(14-18)9-12-19(13-10-17)16(20)21-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyPBBLMZRXFJCFEL-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl 1-piperidinecarboxylate
CID 283449
3-Piperidylcarbonyloxyphenyl piperidinecarboxylate
CID 3151555
(4-Methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 146666947
Phenyl 4-methylpiperidine-1-carboxylate
CID 755382
Way-121898
CID 9796754
4-(Tert-butyl)phenyl piperidinecarboxylate
CID 975065
Phenyl 9-[(4-cyanophenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233102
1-Piperidinecarboxylic acid (4-phenylphenyl) ester
CID 2236013
Phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232807
phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233820
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
Phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232878

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3234990) is phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is PBBLMZRXFJCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-11-5-8-17(14-18)9-12-19(13-10-17)16(20)21-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3234990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).