phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

C20H30N2O2 — CID 3232807

IUPACphenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-17(2)15-21-12-6-9-20(16-21)10-13-22(14-11-20)19(23)24-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyWTTQFMYUEOFLPL-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.02
Rot. Bonds3

About phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3232807) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3232807
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namephenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-17(2)15-21-12-6-9-20(16-21)10-13-22(14-11-20)19(23)24-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyWTTQFMYUEOFLPL-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.02
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
N-tert-butyloxycarbonyl4-(p-fluorophenoxymethyl)piperidine
CID 15512457
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
Methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233086
phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233243
Methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233493
Phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233633

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3232807) is phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is WTTQFMYUEOFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17(2)15-21-12-6-9-20(16-21)10-13-22(14-11-20)19(23)24-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3.
What are the key properties of phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3232807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).