[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone

C16H22N2O2 — CID 131656186

IUPAC[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2CC(CN(CC3CC3)C2)C1
InChIInChI=1S/C16H22N2O2/c19-16(15-2-1-5-20-15)18-10-13-6-14(11-18)9-17(8-13)7-12-3-4-12/h1-2,5,12-14H,3-4,6-11H2
InChIKeyBSJKBHJVESTEPF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds3

About [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone

[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone (PubChem CID 131656186) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
PubChem CID131656186
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2CC(CN(CC3CC3)C2)C1
InChIInChI=1S/C16H22N2O2/c19-16(15-2-1-5-20-15)18-10-13-6-14(11-18)9-17(8-13)7-12-3-4-12/h1-2,5,12-14H,3-4,6-11H2
InChIKeyBSJKBHJVESTEPF-UHFFFAOYSA-N
XLogP2.08
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 43603970
[(4aR,7aR)-1-(oxan-4-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(furan-2-yl)methanone
CID 97377295
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 97376848
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl(furan-2-yl)methanone
CID 68604060
N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 11884410
furan-2-yl-[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 131639426
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone (CID 131656186) is [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CC2CC(CN(CC3CC3)C2)C1.
What is the InChIKey of [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone?
The InChIKey is BSJKBHJVESTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-2-1-5-20-15)18-10-13-6-14(11-18)9-17(8-13)7-12-3-4-12/h1-2,5,12-14H,3-4,6-11H2.
What are the key properties of [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone?
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 131656186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).