N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide

C25H27FN2O2 — CID 46055125

IUPACN-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C25H27FN2O2/c1-18-4-3-5-21(14-18)25(29)28(23-7-6-19(2)24(26)15-23)22-8-11-27(12-9-22)16-20-10-13-30-17-20/h3-7,10,13-15,17,22H,8-9,11-12,16H2,1-2H3
InChIKeyPJVRTAIFXQJKMB-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.35
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide

N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide (PubChem CID 46055125) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
PubChem CID46055125
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccoc3)CC2)c1
InChIInChI=1S/C25H27FN2O2/c1-18-4-3-5-21(14-18)25(29)28(23-7-6-19(2)24(26)15-23)22-8-11-27(12-9-22)16-20-10-13-30-17-20/h3-7,10,13-15,17,22H,8-9,11-12,16H2,1-2H3
InChIKeyPJVRTAIFXQJKMB-UHFFFAOYSA-N
XLogP5.35
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46160593
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46161870
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-(furan-3-ylmethyl)piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46054906
N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]propanamide
CID 46054442
2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 46052954
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide (CID 46055125) is N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccoc3)CC2)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide?
The InChIKey is PJVRTAIFXQJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-18-4-3-5-21(14-18)25(29)28(23-7-6-19(2)24(26)15-23)22-8-11-27(12-9-22)16-20-10-13-30-17-20/h3-7,10,13-15,17,22H,8-9,11-12,16H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide?
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 46055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).