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

C14H21FN2O2 — CID 131684037

IUPAC[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CC1
InChIInChI=1S/C14H21FN2O2/c15-14(3-4-14)13(18)16-6-11-8-19-9-12(7-16)17(11)5-10-1-2-10/h10-12H,1-9H2
InChIKeyANGOGADMILFCRB-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.81
Rot. Bonds3

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

[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131684037) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131684037
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CC1
InChIInChI=1S/C14H21FN2O2/c15-14(3-4-14)13(18)16-6-11-8-19-9-12(7-16)17(11)5-10-1-2-10/h10-12H,1-9H2
InChIKeyANGOGADMILFCRB-UHFFFAOYSA-N
XLogP0.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.81
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-fluorocyclopropyl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone (CID 131684037) is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone is O=C(N1CC2COCC(C1)N2CC1CC1)C1(F)CC1.
What is the InChIKey of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is ANGOGADMILFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c15-14(3-4-14)13(18)16-6-11-8-19-9-12(7-16)17(11)5-10-1-2-10/h10-12H,1-9H2.
What are the key properties of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone?
[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 268.33 g/mol, XLogP of 0.81, 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-fluorocyclopropyl)methanone is sourced from PubChem (CID 131684037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).