4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide

C27H29FN2O2 — CID 23108835

IUPAC4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C27H29FN2O2/c1-32-26-11-5-20(6-12-26)19-30-15-13-22(14-16-30)24-4-2-3-21(17-24)18-29-27(31)23-7-9-25(28)10-8-23/h2-12,17,22H,13-16,18-19H2,1H3,(H,29,31)
InChIKeyCVSYMGKHRIFZHB-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.14
Rot. Bonds7

About 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide

4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide (PubChem CID 23108835) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
PubChem CID23108835
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C27H29FN2O2/c1-32-26-11-5-20(6-12-26)19-30-15-13-22(14-16-30)24-4-2-3-21(17-24)18-29-27(31)23-7-9-25(28)10-8-23/h2-12,17,22H,13-16,18-19H2,1H3,(H,29,31)
InChIKeyCVSYMGKHRIFZHB-UHFFFAOYSA-N
XLogP5.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide
CID 23108731
N-[[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108747
N-[[3-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108698
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]furan-2-carboxamide
CID 90829529
4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44573499
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[[3-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]methyl]-4-fluorobenzamide
CID 23108705
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
4-methylsulfanyl-N-[[3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]phenyl]methyl]benzamide
CID 23108845
N-[[4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108917
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide (CID 23108835) is 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide is COc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The InChIKey is CVSYMGKHRIFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-32-26-11-5-20(6-12-26)19-30-15-13-22(14-16-30)24-4-2-3-21(17-24)18-29-27(31)23-7-9-25(28)10-8-23/h2-12,17,22H,13-16,18-19H2,1H3,(H,29,31).
What are the key properties of 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).