[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone

C16H24N2O2 — CID 133122860

IUPAC[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C16H24N2O2/c1-10(2)15-8-14(11(3)20-15)16(19)18-12-4-5-13(18)9-17-7-6-12/h8,10,12-13,17H,4-7,9H2,1-3H3/t12-,13+/m0/s1
InChIKeyDMWSEWYAGZFQPS-QWHCGFSZSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds2

About [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone

[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone (PubChem CID 133122860) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
PubChem CID133122860
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C16H24N2O2/c1-10(2)15-8-14(11(3)20-15)16(19)18-12-4-5-13(18)9-17-7-6-12/h8,10,12-13,17H,4-7,9H2,1-3H3/t12-,13+/m0/s1
InChIKeyDMWSEWYAGZFQPS-QWHCGFSZSA-N
XLogP2.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[3-(5-methylfuran-2-yl)phenyl]methanone;hydrochloride
CID 154900493
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one
CID 56739388
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119740240
[(1S,5R)-6-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 72867108
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133120064
[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133121607
3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone
CID 175882074

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone (CID 133122860) is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone.
What is the SMILES notation for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The canonical SMILES for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone is Cc1oc(C(C)C)cc1C(=O)N1[C@@H]2CCNC[C@H]1CC2.
What is the InChIKey of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The InChIKey is DMWSEWYAGZFQPS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)15-8-14(11(3)20-15)16(19)18-12-4-5-13(18)9-17-7-6-12/h8,10,12-13,17H,4-7,9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone is sourced from PubChem (CID 133122860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).