propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate

C20H29NO2 — CID 167224628

IUPACpropyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
SMILESCCCOC(=O)C1CN(Cc2ccccc2)CC12CCCCC2
InChIInChI=1S/C20H29NO2/c1-2-13-23-19(22)18-15-21(14-17-9-5-3-6-10-17)16-20(18)11-7-4-8-12-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3
InChIKeyVHZHBZQXVMBOJV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.02
Rot. Bonds5

About propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate

propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate (PubChem CID 167224628) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
PubChem CID167224628
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Namepropyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
SMILESCCCOC(=O)C1CN(Cc2ccccc2)CC12CCCCC2
InChIInChI=1S/C20H29NO2/c1-2-13-23-19(22)18-15-21(14-17-9-5-3-6-10-17)16-20(18)11-7-4-8-12-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3
InChIKeyVHZHBZQXVMBOJV-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
2-O-tert-butyl 8-O-methyl 6-benzyl-6-azaspiro[3.4]octane-2,8-dicarboxylate
CID 177454583
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
tert-butyl N-[(3aR,7aR)-2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]carbamate
CID 90406229
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401

Frequently Asked Questions

What is the IUPAC name of propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate (CID 167224628) is propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate is CCCOC(=O)C1CN(Cc2ccccc2)CC12CCCCC2.
What is the InChIKey of propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is VHZHBZQXVMBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-13-23-19(22)18-15-21(14-17-9-5-3-6-10-17)16-20(18)11-7-4-8-12-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3.
What are the key properties of propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate?
propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 167224628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).