[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone

C15H23FN2O2 — CID 131684270

IUPAC[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CCC1
InChIInChI=1S/C15H23FN2O2/c16-15(4-1-5-15)14(19)17-7-12-9-20-10-13(8-17)18(12)6-11-2-3-11/h11-13H,1-10H2
InChIKeyNBGVRZDGDZIJDY-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.20
Rot. Bonds3

About [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone

[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone (PubChem CID 131684270) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone
PubChem CID131684270
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CCC1
InChIInChI=1S/C15H23FN2O2/c16-15(4-1-5-15)14(19)17-7-12-9-20-10-13(8-17)18(12)6-11-2-3-11/h11-13H,1-10H2
InChIKeyNBGVRZDGDZIJDY-UHFFFAOYSA-N
XLogP1.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone (CID 131684270) is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone is O=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CCC1.
What is the InChIKey of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone?
The InChIKey is NBGVRZDGDZIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c16-15(4-1-5-15)14(19)17-7-12-9-20-10-13(8-17)18(12)6-11-2-3-11/h11-13H,1-10H2.
What are the key properties of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone?
[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone has a molecular weight of 282.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclobutyl)methanone is sourced from PubChem (CID 131684270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).