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

C18H26N2O2 — CID 3232804

IUPACmethyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-22-17(21)20-12-9-18(10-13-20)8-5-11-19(15-18)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyDIPVPNBUIGTJNN-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.13
Rot. Bonds2

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

methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3232804) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3232804
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namemethyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-22-17(21)20-12-9-18(10-13-20)8-5-11-19(15-18)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyDIPVPNBUIGTJNN-UHFFFAOYSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
Methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970
Ethyl 4-(2,6-difluorobenzyl)-1-piperazinecarboxylate
CID 2055478
Methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3233218
Methyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233365
Methyl 9-[(4-cyanophenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233385
Methyl 9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3235365
4-[(3-Acetyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]benzonitrile
CID 3235461
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-methylacetamide
CID 9993507
methyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 13560678
Ethyl-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-carbamic acid methyl ester
CID 44404542

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3232804) is methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is DIPVPNBUIGTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17(21)20-12-9-18(10-13-20)8-5-11-19(15-18)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3.
What are the key properties of methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3232804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).