3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide

C28H29F2N3O3 — CID 46037917

IUPAC3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C28H29F2N3O3/c1-36-26-9-5-2-6-19(26)10-13-31-28(35)24-7-3-4-8-25(24)33-14-11-23(12-15-33)32-27(34)20-16-21(29)18-22(30)17-20/h2-9,16-18,23H,10-15H2,1H3,(H,31,35)(H,32,34)
InChIKeyHLKGRAXSLDMOFP-UHFFFAOYSA-N
MW493.55 g/mol
LogP4.34
Rot. Bonds8

About 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide

3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide (PubChem CID 46037917) has the molecular formula C28H29F2N3O3 and a molecular weight of 493.55 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
PubChem CID46037917
Molecular FormulaC28H29F2N3O3
Molecular Weight493.55 g/mol
Exact Mass493.22
IUPAC Name3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C28H29F2N3O3/c1-36-26-9-5-2-6-19(26)10-13-31-28(35)24-7-3-4-8-25(24)33-14-11-23(12-15-33)32-27(34)20-16-21(29)18-22(30)17-20/h2-9,16-18,23H,10-15H2,1H3,(H,31,35)(H,32,34)
InChIKeyHLKGRAXSLDMOFP-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide (CID 46037917) is 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide is COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide?
The InChIKey is HLKGRAXSLDMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O3/c1-36-26-9-5-2-6-19(26)10-13-31-28(35)24-7-3-4-8-25(24)33-14-11-23(12-15-33)32-27(34)20-16-21(29)18-22(30)17-20/h2-9,16-18,23H,10-15H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide?
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide has a molecular weight of 493.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46037917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).