6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone

C14H24N2O3 — CID 103533074

IUPAC6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)C2CC23CCNCC3)CC1OC
InChIInChI=1S/C14H24N2O3/c1-18-11-8-16(9-12(11)19-2)13(17)10-7-14(10)3-5-15-6-4-14/h10-12,15H,3-9H2,1-2H3
InChIKeyFTPREKQSUSRNEP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.25
Rot. Bonds3

About 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone

6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone (PubChem CID 103533074) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
PubChem CID103533074
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)C2CC23CCNCC3)CC1OC
InChIInChI=1S/C14H24N2O3/c1-18-11-8-16(9-12(11)19-2)13(17)10-7-14(10)3-5-15-6-4-14/h10-12,15H,3-9H2,1-2H3
InChIKeyFTPREKQSUSRNEP-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone (CID 103533074) is 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone is COC1CN(C(=O)C2CC23CCNCC3)CC1OC.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The InChIKey is FTPREKQSUSRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-18-11-8-16(9-12(11)19-2)13(17)10-7-14(10)3-5-15-6-4-14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone?
6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103533074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).