[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C19H24N2O2 — CID 24817120

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccoc3C)C2)cc1C
InChIInChI=1S/C19H24N2O2/c1-13-6-7-16(11-14(13)2)20-17-5-4-9-21(12-17)19(22)18-8-10-23-15(18)3/h6-8,10-11,17,20H,4-5,9,12H2,1-3H3
InChIKeyCETFKGNOQLFXFQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.92
Rot. Bonds3

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 24817120) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID24817120
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccoc3C)C2)cc1C
InChIInChI=1S/C19H24N2O2/c1-13-6-7-16(11-14(13)2)20-17-5-4-9-21(12-17)19(22)18-8-10-23-15(18)3/h6-8,10-11,17,20H,4-5,9,12H2,1-3H3
InChIKeyCETFKGNOQLFXFQ-UHFFFAOYSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409140
2,5-dimethyl-N-naphthalen-2-ylfuran-3-carboxamide
CID 757751
N-methyl-N-(2-naphthyl)-3-furamide
CID 849880
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 2558565
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
(2,5-Dimethylfuran-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 7661798
(2,5-Dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
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CID 9506757

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 24817120) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1ccc(NC2CCCN(C(=O)c3ccoc3C)C2)cc1C.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is CETFKGNOQLFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-7-16(11-14(13)2)20-17-5-4-9-21(12-17)19(22)18-8-10-23-15(18)3/h6-8,10-11,17,20H,4-5,9,12H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 24817120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).