3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide

C24H23FN2O3 — CID 121354946

IUPAC3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(F)CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1
InChIInChI=1S/C24H23FN2O3/c1-17-8-10-20(11-9-17)26-23(29)24(25)12-4-13-27(16-24)22(28)19-6-2-5-18(15-19)21-7-3-14-30-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,26,29)
InChIKeyPUHLBOKIIGZZEV-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.84
Rot. Bonds4

About 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide

3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 121354946) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID121354946
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(F)CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1
InChIInChI=1S/C24H23FN2O3/c1-17-8-10-20(11-9-17)26-23(29)24(25)12-4-13-27(16-24)22(28)19-6-2-5-18(15-19)21-7-3-14-30-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,26,29)
InChIKeyPUHLBOKIIGZZEV-UHFFFAOYSA-N
XLogP4.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354959
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
5-(benzylamino)-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354972
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
N-(4-chlorophenyl)-4-[3-(furan-2-yl)benzoyl]-1-(4-methoxybenzoyl)piperazine-2-carboxamide
CID 121317941
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 121318066
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 121354946) is 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2(F)CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.
What is the InChIKey of 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is PUHLBOKIIGZZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-17-8-10-20(11-9-17)26-23(29)24(25)12-4-13-27(16-24)22(28)19-6-2-5-18(15-19)21-7-3-14-30-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,26,29).
What are the key properties of 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121354946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).