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

C12H18N2O2 — CID 119373769

IUPAC(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(N)CC2)o1
InChIInChI=1S/C12H18N2O2/c1-8-7-9(2)16-11(8)12(15)14-5-3-10(13)4-6-14/h7,10H,3-6,13H2,1-2H3
InChIKeyDGQYPPRBLSPOHL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds1

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

(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone (PubChem CID 119373769) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
PubChem CID119373769
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(N)CC2)o1
InChIInChI=1S/C12H18N2O2/c1-8-7-9(2)16-11(8)12(15)14-5-3-10(13)4-6-14/h7,10H,3-6,13H2,1-2H3
InChIKeyDGQYPPRBLSPOHL-UHFFFAOYSA-N
XLogP1.46
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 119517710
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
(4-aminopiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103403494
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone (CID 119373769) is (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone is Cc1cc(C)c(C(=O)N2CCC(N)CC2)o1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone?
The InChIKey is DGQYPPRBLSPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-7-9(2)16-11(8)12(15)14-5-3-10(13)4-6-14/h7,10H,3-6,13H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone?
(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone is sourced from PubChem (CID 119373769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).