5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide

C20H25FN2O2 — CID 95712924

IUPAC5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@H](CCc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O2/c1-22-20(24)19-11-10-17(25-19)14-23-12-4-5-15(13-23)8-9-16-6-2-3-7-18(16)21/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyHVROTXWODHMZRS-OAHLLOKOSA-N
MW344.43 g/mol
LogP3.62
Rot. Bonds6

About 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide

5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 95712924) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID95712924
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@H](CCc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O2/c1-22-20(24)19-11-10-17(25-19)14-23-12-4-5-15(13-23)8-9-16-6-2-3-7-18(16)21/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyHVROTXWODHMZRS-OAHLLOKOSA-N
XLogP3.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95455929
3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56914557
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide (CID 95712924) is 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN2CCC[C@H](CCc3ccccc3F)C2)o1.
What is the InChIKey of 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is HVROTXWODHMZRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-22-20(24)19-11-10-17(25-19)14-23-12-4-5-15(13-23)8-9-16-6-2-3-7-18(16)21/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 95712924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).