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

C13H20N2O2 — CID 114506512

IUPAC[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2)CCC1NC
InChIInChI=1S/C13H20N2O2/c1-3-10-8-15(6-4-12(10)14-2)13(16)11-5-7-17-9-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyGPWMJJHCOKGWOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds3

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

[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 114506512) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID114506512
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2)CCC1NC
InChIInChI=1S/C13H20N2O2/c1-3-10-8-15(6-4-12(10)14-2)13(16)11-5-7-17-9-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyGPWMJJHCOKGWOR-UHFFFAOYSA-N
XLogP1.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 114506554
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone (CID 114506512) is [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone is CCC1CN(C(=O)c2ccoc2)CCC1NC.
What is the InChIKey of [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is GPWMJJHCOKGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-8-15(6-4-12(10)14-2)13(16)11-5-7-17-9-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3.
What are the key properties of [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone?
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 114506512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).