N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide

C21H23F3N2O3 — CID 164626537

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1O
InChIInChI=1S/C21H23F3N2O3/c1-29-19-8-5-14(11-18(19)27)13-25-20(28)16-12-15(21(22,23)24)6-7-17(16)26-9-3-2-4-10-26/h5-8,11-12,27H,2-4,9-10,13H2,1H3,(H,25,28)
InChIKeyHBWOYMOYUOEHBU-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.34
Rot. Bonds5

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide (PubChem CID 164626537) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
PubChem CID164626537
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1O
InChIInChI=1S/C21H23F3N2O3/c1-29-19-8-5-14(11-18(19)27)13-25-20(28)16-12-15(21(22,23)24)6-7-17(16)26-9-3-2-4-10-26/h5-8,11-12,27H,2-4,9-10,13H2,1H3,(H,25,28)
InChIKeyHBWOYMOYUOEHBU-UHFFFAOYSA-N
XLogP4.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-O-demethylencainide
CID 54737
2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one
CID 2887735
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CID 653058
(3,4-Dimethoxyphenyl)[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991756
N-[3-(4-Dimethylaminomethyl-phenylcarbamoyl)-benzyl]-3,4-dimethoxy-benzamide
CID 25054032
5-fluoro-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753586
5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753590
5-bromo-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753593
N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 141753594
5-chloro-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753599
5-hydroxy-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753600

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide (CID 164626537) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide is COc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide?
The InChIKey is HBWOYMOYUOEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-29-19-8-5-14(11-18(19)27)13-25-20(28)16-12-15(21(22,23)24)6-7-17(16)26-9-3-2-4-10-26/h5-8,11-12,27H,2-4,9-10,13H2,1H3,(H,25,28).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide has a molecular weight of 408.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 164626537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).