5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

C19H23FN2O2 — CID 56899649

IUPAC5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C19H23FN2O2/c1-21(2)19(23)18-11-10-16(24-18)13-22-12-4-3-5-17(22)14-6-8-15(20)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3
InChIKeyWOFWUULZJOSFGH-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.85
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (PubChem CID 56899649) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
PubChem CID56899649
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C19H23FN2O2/c1-21(2)19(23)18-11-10-16(24-18)13-22-12-4-3-5-17(22)14-6-8-15(20)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3
InChIKeyWOFWUULZJOSFGH-UHFFFAOYSA-N
XLogP3.85
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
methyl 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56884158
5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 135100880
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 77094517
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (CID 56899649) is 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is CN(C)C(=O)c1ccc(CN2CCCCC2c2ccc(F)cc2)o1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The InChIKey is WOFWUULZJOSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21(2)19(23)18-11-10-16(24-18)13-22-12-4-3-5-17(22)14-6-8-15(20)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3.
What are the key properties of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 56899649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).