(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone

C18H24N2O2 — CID 120814814

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC(N)C(C)(C)C3)oc2cc1C
InChIInChI=1S/C18H24N2O2/c1-11-7-13-9-15(22-14(13)8-12(11)2)17(21)20-6-5-16(19)18(3,4)10-20/h7-9,16H,5-6,10,19H2,1-4H3
InChIKeyODQIMNMUWJYWOH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.25
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone (PubChem CID 120814814) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone
PubChem CID120814814
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC(N)C(C)(C)C3)oc2cc1C
InChIInChI=1S/C18H24N2O2/c1-11-7-13-9-15(22-14(13)8-12(11)2)17(21)20-6-5-16(19)18(3,4)10-20/h7-9,16H,5-6,10,19H2,1-4H3
InChIKeyODQIMNMUWJYWOH-UHFFFAOYSA-N
XLogP3.25
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 124611196
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395183
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-dimethylfuran-2-sulfonamide
CID 120815864
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 120815207

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone (CID 120814814) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone is Cc1cc2cc(C(=O)N3CCC(N)C(C)(C)C3)oc2cc1C.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is ODQIMNMUWJYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-7-13-9-15(22-14(13)8-12(11)2)17(21)20-6-5-16(19)18(3,4)10-20/h7-9,16H,5-6,10,19H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 120814814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).