[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C23H34N2O3 — CID 42779985

IUPAC[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)N3CC4(C)CC3CC(C)(C)C4)C2)c(C)o1
InChIInChI=1S/C23H34N2O3/c1-15-9-19(16(2)28-15)21(27)24-8-6-7-17(12-24)20(26)25-14-23(5)11-18(25)10-22(3,4)13-23/h9,17-18H,6-8,10-14H2,1-5H3
InChIKeyXWHPTRHGLZIWCW-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.18
Rot. Bonds2

About [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 42779985) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID42779985
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)N3CC4(C)CC3CC(C)(C)C4)C2)c(C)o1
InChIInChI=1S/C23H34N2O3/c1-15-9-19(16(2)28-15)21(27)24-8-6-7-17(12-24)20(26)25-14-23(5)11-18(25)10-22(3,4)13-23/h9,17-18H,6-8,10-14H2,1-5H3
InChIKeyXWHPTRHGLZIWCW-UHFFFAOYSA-N
XLogP4.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 42779985) is [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is Cc1cc(C(=O)N2CCCC(C(=O)N3CC4(C)CC3CC(C)(C)C4)C2)c(C)o1.
What is the InChIKey of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is XWHPTRHGLZIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-15-9-19(16(2)28-15)21(27)24-8-6-7-17(12-24)20(26)25-14-23(5)11-18(25)10-22(3,4)13-23/h9,17-18H,6-8,10-14H2,1-5H3.
What are the key properties of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 386.54 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 42779985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).