1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone

C14H23N5O — CID 138009047

IUPAC1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)N2CCCCC23CCCCCC3)n1
InChIInChI=1S/C14H23N5O/c1-18-16-12(15-17-18)13(20)19-11-7-6-10-14(19)8-4-2-3-5-9-14/h2-11H2,1H3
InChIKeyJAMWAJKQUQQFOX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds1

About 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone

1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone (PubChem CID 138009047) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone
PubChem CID138009047
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)N2CCCCC23CCCCCC3)n1
InChIInChI=1S/C14H23N5O/c1-18-16-12(15-17-18)13(20)19-11-7-6-10-14(19)8-4-2-3-5-9-14/h2-11H2,1H3
InChIKeyJAMWAJKQUQQFOX-UHFFFAOYSA-N
XLogP1.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Tert-butyltetrazol-5-yl)-[3-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 138024514
[4-(Cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone
CID 154770728
N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyl-2H-1,2,3,4-tetrazol-2-yl)acetamide
CID 155820475

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone (CID 138009047) is 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)N2CCCCC23CCCCCC3)n1.
What is the InChIKey of 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone?
The InChIKey is JAMWAJKQUQQFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18-16-12(15-17-18)13(20)19-11-7-6-10-14(19)8-4-2-3-5-9-14/h2-11H2,1H3.
What are the key properties of 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone?
1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 138009047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).