(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H24N2O2 — CID 63259463

IUPAC(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C3CCCN3)CC2)c(C)o1
InChIInChI=1S/C16H24N2O2/c1-11-10-14(12(2)20-11)16(19)18-8-5-13(6-9-18)15-4-3-7-17-15/h10,13,15,17H,3-9H2,1-2H3
InChIKeySTPSDGAMUVVTSI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259463) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259463
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C3CCCN3)CC2)c(C)o1
InChIInChI=1S/C16H24N2O2/c1-11-10-14(12(2)20-11)16(19)18-8-5-13(6-9-18)15-4-3-7-17-15/h10,13,15,17H,3-9H2,1-2H3
InChIKeySTPSDGAMUVVTSI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999596
(2,4-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999763
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
CID 119999362
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259463) is (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C3CCCN3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is STPSDGAMUVVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-10-14(12(2)20-11)16(19)18-8-5-13(6-9-18)15-4-3-7-17-15/h10,13,15,17H,3-9H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).