5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide

C20H25FN2O2 — CID 51948414

IUPAC5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc(-c3ccccc3F)o2)C1
InChIInChI=1S/C20H25FN2O2/c1-15-6-4-12-23(14-15)13-5-11-22-20(24)19-10-9-18(25-19)16-7-2-3-8-17(16)21/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyFXLPRFGFRCSWMF-HNNXBMFYSA-N
MW344.43 g/mol
LogP3.94
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide (PubChem CID 51948414) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
PubChem CID51948414
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc(-c3ccccc3F)o2)C1
InChIInChI=1S/C20H25FN2O2/c1-15-6-4-12-23(14-15)13-5-11-22-20(24)19-10-9-18(25-19)16-7-2-3-8-17(16)21/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyFXLPRFGFRCSWMF-HNNXBMFYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
5-(benzenesulfinylmethyl)-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20859479
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51222770
1-(2,6-difluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739285
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
N-[3-(3-methylpiperidin-1-yl)propyl]furo[3,2-b]quinoxaline-3-carboxamide
CID 3239334
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide (CID 51948414) is 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide is C[C@H]1CCCN(CCCNC(=O)c2ccc(-c3ccccc3F)o2)C1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide?
The InChIKey is FXLPRFGFRCSWMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-15-6-4-12-23(14-15)13-5-11-22-20(24)19-10-9-18(25-19)16-7-2-3-8-17(16)21/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 51948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).