(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone

C14H21N3O2 — CID 110197967

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C14H21N3O2/c1-16-10-7-15-12(16)13(18)17-8-5-14(6-9-17)4-3-11(14)19-2/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyKSPANWAAIMSBNW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone (PubChem CID 110197967) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
PubChem CID110197967
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C14H21N3O2/c1-16-10-7-15-12(16)13(18)17-8-5-14(6-9-17)4-3-11(14)19-2/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyKSPANWAAIMSBNW-UHFFFAOYSA-N
XLogP1.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone (CID 110197967) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone is COC1CCC12CCN(C(=O)c1nccn1C)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is KSPANWAAIMSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-10-7-15-12(16)13(18)17-8-5-14(6-9-17)4-3-11(14)19-2/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 110197967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).