(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone

C12H18N2O2 — CID 82344192

IUPAC(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)o1
InChIInChI=1S/C12H18N2O2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8,13H2,1H3
InChIKeyVYNIIVLKKLIDAX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.27
Rot. Bonds2

About (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone

(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 82344192) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID82344192
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)o1
InChIInChI=1S/C12H18N2O2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8,13H2,1H3
InChIKeyVYNIIVLKKLIDAX-UHFFFAOYSA-N
XLogP2.27
TPSA59.47 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanone
CID 110383835
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435

Frequently Asked Questions

What is the IUPAC name of (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 82344192) is (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(N)o1.
What is the InChIKey of (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VYNIIVLKKLIDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8,13H2,1H3.
What are the key properties of (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 82344192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).