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

C27H29FN2O2 — CID 42853384

IUPAC2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(CN2CCC(N(C(=O)c3ccccc3F)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C27H29FN2O2/c1-20-6-5-7-23(18-20)30(27(31)25-8-3-4-9-26(25)28)22-14-16-29(17-15-22)19-21-10-12-24(32-2)13-11-21/h3-13,18,22H,14-17,19H2,1-2H3
InChIKeyZHYVUALSQLNQSL-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.45
Rot. Bonds6

About 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide

2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide (PubChem CID 42853384) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
PubChem CID42853384
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(CN2CCC(N(C(=O)c3ccccc3F)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C27H29FN2O2/c1-20-6-5-7-23(18-20)30(27(31)25-8-3-4-9-26(25)28)22-14-16-29(17-15-22)19-21-10-12-24(32-2)13-11-21/h3-13,18,22H,14-17,19H2,1-2H3
InChIKeyZHYVUALSQLNQSL-UHFFFAOYSA-N
XLogP5.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 46052954
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(3,4-dimethoxyphenyl)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 42853326
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide (CID 42853384) is 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide is COc1ccc(CN2CCC(N(C(=O)c3ccccc3F)c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is ZHYVUALSQLNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-20-6-5-7-23(18-20)30(27(31)25-8-3-4-9-26(25)28)22-14-16-29(17-15-22)19-21-10-12-24(32-2)13-11-21/h3-13,18,22H,14-17,19H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide?
2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 42853384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).