N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide

C15H24N3O3+ — CID 9253639

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)C[NH+]1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-17(15(20)12-18-7-3-2-4-8-18)11-14(19)16-10-13-6-5-9-21-13/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,16,19)/p+1
InChIKeyOQYGMIITYBCCHQ-UHFFFAOYSA-O
MW294.37 g/mol
LogP-0.58
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide (PubChem CID 9253639) has the molecular formula C15H24N3O3+ and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
PubChem CID9253639
Molecular FormulaC15H24N3O3+
Molecular Weight294.37 g/mol
Exact Mass294.18
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)C[NH+]1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-17(15(20)12-18-7-3-2-4-8-18)11-14(19)16-10-13-6-5-9-21-13/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,16,19)/p+1
InChIKeyOQYGMIITYBCCHQ-UHFFFAOYSA-O
XLogP-0.58
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9253771
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 9375196
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9435126
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508141
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9255188

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide (CID 9253639) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide is CN(CC(=O)NCc1ccco1)C(=O)C[NH+]1CCCCC1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is OQYGMIITYBCCHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O3/c1-17(15(20)12-18-7-3-2-4-8-18)11-14(19)16-10-13-6-5-9-21-13/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,16,19)/p+1.
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 294.37 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 9253639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).