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

C26H27FN2O2 — CID 134800444

IUPAC4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H27FN2O2/c1-31-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-29-15-13-23(14-16-29)28-26(30)20-9-11-22(27)12-10-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,30)
InChIKeyIUHUFPLMZGPROB-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.90
Rot. Bonds6

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

4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134800444) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134800444
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H27FN2O2/c1-31-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-29-15-13-23(14-16-29)28-26(30)20-9-11-22(27)12-10-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,30)
InChIKeyIUHUFPLMZGPROB-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410
3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796961
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134800444) is 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is IUHUFPLMZGPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-31-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-29-15-13-23(14-16-29)28-26(30)20-9-11-22(27)12-10-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,30).
What are the key properties of 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 418.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134800444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).