[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone

C14H22N2O2 — CID 114506554

IUPAC[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCCC1CN(C(=O)c2occc2C)CCC1NC
InChIInChI=1S/C14H22N2O2/c1-4-11-9-16(7-5-12(11)15-3)14(17)13-10(2)6-8-18-13/h6,8,11-12,15H,4-5,7,9H2,1-3H3
InChIKeyUELXPNRDJPZKLD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds3

About [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone

[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 114506554) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID114506554
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCCC1CN(C(=O)c2occc2C)CCC1NC
InChIInChI=1S/C14H22N2O2/c1-4-11-9-16(7-5-12(11)15-3)14(17)13-10(2)6-8-18-13/h6,8,11-12,15H,4-5,7,9H2,1-3H3
InChIKeyUELXPNRDJPZKLD-UHFFFAOYSA-N
XLogP2.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylfuran-2-yl)methanone
CID 98894959
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
(3-bromofuran-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413838

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 114506554) is [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone is CCC1CN(C(=O)c2occc2C)CCC1NC.
What is the InChIKey of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is UELXPNRDJPZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-9-16(7-5-12(11)15-3)14(17)13-10(2)6-8-18-13/h6,8,11-12,15H,4-5,7,9H2,1-3H3.
What are the key properties of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.05, 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]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 114506554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).