N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

C20H19F3N2O4 — CID 108558603

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)14-3-1-12(2-4-14)18(28)24-15-5-7-25(8-6-15)19(29)13-9-16(26)11-17(27)10-13/h1-4,9-11,15,26-27H,5-8H2,(H,24,28)
InChIKeyOAYCCDJQRSWAKQ-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 108558603) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID108558603
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)14-3-1-12(2-4-14)18(28)24-15-5-7-25(8-6-15)19(29)13-9-16(26)11-17(27)10-13/h1-4,9-11,15,26-27H,5-8H2,(H,24,28)
InChIKeyOAYCCDJQRSWAKQ-UHFFFAOYSA-N
XLogP3.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 108558603) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is OAYCCDJQRSWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)14-3-1-12(2-4-14)18(28)24-15-5-7-25(8-6-15)19(29)13-9-16(26)11-17(27)10-13/h1-4,9-11,15,26-27H,5-8H2,(H,24,28).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 408.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108558603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).