phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C18H26N2O2 — CID 3232648

IUPACphenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)CN1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O2/c1-15(2)12-19-13-18(14-19)8-10-20(11-9-18)17(21)22-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyBQHDWBPRERDBRR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.24
Rot. Bonds3

About phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3232648) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namephenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3232648
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namephenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)CN1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O2/c1-15(2)12-19-13-18(14-19)8-10-20(11-9-18)17(21)22-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyBQHDWBPRERDBRR-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3232648) is phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)CN1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is BQHDWBPRERDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15(2)12-19-13-18(14-19)8-10-20(11-9-18)17(21)22-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.24, 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)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3232648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).