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

C14H22N2O2 — CID 80551479

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C14H22N2O2/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-6-9-18-11(13)2/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyUSNNXBMABODNQD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds4

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

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 80551479) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID80551479
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C14H22N2O2/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-6-9-18-11(13)2/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyUSNNXBMABODNQD-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 119546274
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 80551479) is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is CCNCC1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is USNNXBMABODNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-6-9-18-11(13)2/h6,9,12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 80551479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).