N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C24H25F3N4O3 — CID 52936020

IUPACN-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(O)CN(Cc3cc(F)c(F)c(F)c3)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H25F3N4O3/c1-14-9-31(13-28-14)21-4-3-16(7-22(21)34-2)24(33)29-17-8-18(32)12-30(11-17)10-15-5-19(25)23(27)20(26)6-15/h3-7,9,13,17-18,32H,8,10-12H2,1-2H3,(H,29,33)
InChIKeyWHVSVBAYACBHPK-UHFFFAOYSA-N
MW474.48 g/mol
LogP2.97
Rot. Bonds6

About N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 52936020) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID52936020
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(O)CN(Cc3cc(F)c(F)c(F)c3)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H25F3N4O3/c1-14-9-31(13-28-14)21-4-3-16(7-22(21)34-2)24(33)29-17-8-18(32)12-30(11-17)10-15-5-19(25)23(27)20(26)6-15/h3-7,9,13,17-18,32H,8,10-12H2,1-2H3,(H,29,33)
InChIKeyWHVSVBAYACBHPK-UHFFFAOYSA-N
XLogP2.97
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-5-hydroxypiperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52936019
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
methyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1-[(3,4,5-trifluorophenyl)methyl]pyrazole-5-carboxylate
CID 46216604
N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52935797
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
methyl (Z)-4-amino-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imino-2-[(3,4,5-trifluorophenyl)methylamino]but-2-enoate
CID 143985882
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 72945923
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 52936020) is N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NC2CC(O)CN(Cc3cc(F)c(F)c(F)c3)C2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is WHVSVBAYACBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-14-9-31(13-28-14)21-4-3-16(7-22(21)34-2)24(33)29-17-8-18(32)12-30(11-17)10-15-5-19(25)23(27)20(26)6-15/h3-7,9,13,17-18,32H,8,10-12H2,1-2H3,(H,29,33).
What are the key properties of N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 52936020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).