[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

C19H23FN2O3 — CID 119592675

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H23FN2O3/c1-13(21)14-3-2-10-22(11-14)19(23)18-9-8-17(25-18)12-24-16-6-4-15(20)5-7-16/h4-9,13-14H,2-3,10-12,21H2,1H3
InChIKeySMANNOCUNJHYFZ-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.20
Rot. Bonds5

About [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (PubChem CID 119592675) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
PubChem CID119592675
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H23FN2O3/c1-13(21)14-3-2-10-22(11-14)19(23)18-9-8-17(25-18)12-24-16-6-4-15(20)5-7-16/h4-9,13-14H,2-3,10-12,21H2,1H3
InChIKeySMANNOCUNJHYFZ-UHFFFAOYSA-N
XLogP3.20
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124700763
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 122148050
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
1-[3-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119593930
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806
[4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38029210
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119517190
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 124690767
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (CID 119592675) is [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is CC(N)C1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is SMANNOCUNJHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(21)14-3-2-10-22(11-14)19(23)18-9-8-17(25-18)12-24-16-6-4-15(20)5-7-16/h4-9,13-14H,2-3,10-12,21H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 346.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 119592675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).