(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

C13H19NO2 — CID 35523795

IUPAC(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C13H19NO2/c1-9-6-4-5-7-14(9)13(15)12-8-10(2)16-11(12)3/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPCDGUVAFWVFVPI-SECBINFHSA-N
MW221.30 g/mol
LogP2.91
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 35523795) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID35523795
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C13H19NO2/c1-9-6-4-5-7-14(9)13(15)12-8-10(2)16-11(12)3/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPCDGUVAFWVFVPI-SECBINFHSA-N
XLogP2.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 815120
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63765567
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 35523795) is (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is PCDGUVAFWVFVPI-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-4-5-7-14(9)13(15)12-8-10(2)16-11(12)3/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 221.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 35523795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).