1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one

C20H25FN2O3 — CID 91911204

IUPAC1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(CC2CC2)C12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H25FN2O3/c1-26-18-19(25)23(13-14-5-6-14)20(18)7-9-22(10-8-20)17(24)12-15-3-2-4-16(21)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3
InChIKeyAIEGNFXEDOYNFO-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.00
Rot. Bonds5

About 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one

1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one (PubChem CID 91911204) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one
PubChem CID91911204
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(CC2CC2)C12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H25FN2O3/c1-26-18-19(25)23(13-14-5-6-14)20(18)7-9-22(10-8-20)17(24)12-15-3-2-4-16(21)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3
InChIKeyAIEGNFXEDOYNFO-UHFFFAOYSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one (CID 91911204) is 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one is COC1C(=O)N(CC2CC2)C12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one?
The InChIKey is AIEGNFXEDOYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-26-18-19(25)23(13-14-5-6-14)20(18)7-9-22(10-8-20)17(24)12-15-3-2-4-16(21)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one?
1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one has a molecular weight of 360.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91911204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).