1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone

C12H18N2O2 — CID 115277216

IUPAC1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(N)C2)o1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(16-9)7-12(15)14-6-2-3-10(13)8-14/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyVPLKTXCDRPVERL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone (PubChem CID 115277216) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
PubChem CID115277216
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(N)C2)o1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(16-9)7-12(15)14-6-2-3-10(13)8-14/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyVPLKTXCDRPVERL-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone (CID 115277216) is 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone is Cc1ccc(CC(=O)N2CCCC(N)C2)o1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The InChIKey is VPLKTXCDRPVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(16-9)7-12(15)14-6-2-3-10(13)8-14/h4-5,10H,2-3,6-8,13H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 115277216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).