[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone

C12H18N2O2 — CID 114818395

IUPAC[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2coc(C)c2)C1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(8-16-9)12(15)14-5-3-4-11(7-14)13-2/h6,8,11,13H,3-5,7H2,1-2H3
InChIKeyPRFZHQXARCJAMR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone

[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 114818395) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
PubChem CID114818395
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2coc(C)c2)C1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(8-16-9)12(15)14-5-3-4-11(7-14)13-2/h6,8,11,13H,3-5,7H2,1-2H3
InChIKeyPRFZHQXARCJAMR-UHFFFAOYSA-N
XLogP1.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 71642618
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491533

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone (CID 114818395) is [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone is CNC1CCCN(C(=O)c2coc(C)c2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is PRFZHQXARCJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-10(8-16-9)12(15)14-5-3-4-11(7-14)13-2/h6,8,11,13H,3-5,7H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114818395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).