[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone

C14H22N2O2 — CID 114506827

IUPAC[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCNC1CCN(C(=O)c2ccco2)CC1CC
InChIInChI=1S/C14H22N2O2/c1-3-11-10-16(8-7-12(11)15-4-2)14(17)13-6-5-9-18-13/h5-6,9,11-12,15H,3-4,7-8,10H2,1-2H3
InChIKeyMXCVUPNYQNILSZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds4

About [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 114506827) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID114506827
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCNC1CCN(C(=O)c2ccco2)CC1CC
InChIInChI=1S/C14H22N2O2/c1-3-11-10-16(8-7-12(11)15-4-2)14(17)13-6-5-9-18-13/h5-6,9,11-12,15H,3-4,7-8,10H2,1-2H3
InChIKeyMXCVUPNYQNILSZ-UHFFFAOYSA-N
XLogP2.13
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-phenylacetamide
CID 73138876
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
CID 124790949
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 11911985

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone (CID 114506827) is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone is CCNC1CCN(C(=O)c2ccco2)CC1CC.
What is the InChIKey of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MXCVUPNYQNILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-10-16(8-7-12(11)15-4-2)14(17)13-6-5-9-18-13/h5-6,9,11-12,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone?
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 114506827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).