N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide

C16H26N2O2 — CID 60597945

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CC(C)CC(C)C2)c(C)o1
InChIInChI=1S/C16H26N2O2/c1-10-6-11(2)9-18(8-10)16(19)17-13(4)15-7-12(3)20-14(15)5/h7,10-11,13H,6,8-9H2,1-5H3,(H,17,19)
InChIKeyWDXFHWAIYZJPFI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.64
Rot. Bonds2

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 60597945) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID60597945
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CC(C)CC(C)C2)c(C)o1
InChIInChI=1S/C16H26N2O2/c1-10-6-11(2)9-18(8-10)16(19)17-13(4)15-7-12(3)20-14(15)5/h7,10-11,13H,6,8-9H2,1-5H3,(H,17,19)
InChIKeyWDXFHWAIYZJPFI-UHFFFAOYSA-N
XLogP3.64
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351101
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 86789730
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147875
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-7,7-dimethyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99839284
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 60597838
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86856561
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97067874
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 97306529
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71861162
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide (CID 60597945) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide is Cc1cc(C(C)NC(=O)N2CC(C)CC(C)C2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is WDXFHWAIYZJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-6-11(2)9-18(8-10)16(19)17-13(4)15-7-12(3)20-14(15)5/h7,10-11,13H,6,8-9H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 60597945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).