N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

C27H27F3N2O2 — CID 71585157

IUPACN-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H27F3N2O2/c28-27(29,30)23-10-12-25(13-11-23)34-19-21-6-8-22(9-7-21)26(33)31-24-14-16-32(17-15-24)18-20-4-2-1-3-5-20/h1-13,24H,14-19H2,(H,31,33)
InChIKeyWJZRVPUDLXDWPN-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.68
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 71585157) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID71585157
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H27F3N2O2/c28-27(29,30)23-10-12-25(13-11-23)34-19-21-6-8-22(9-7-21)26(33)31-24-14-16-32(17-15-24)18-20-4-2-1-3-5-20/h1-13,24H,14-19H2,(H,31,33)
InChIKeyWJZRVPUDLXDWPN-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tiropramide
CID 42262
AdipoRon
CID 16307093
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
N-(3-(trifluoromethoxy)benzyl)-4-phenoxybenzamide
CID 44405454
GT-0198
CID 71584823
4-[[4-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-N-propan-2-ylbenzamide
CID 10230930
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
N-(4-methyl-benzyl)-4-phenoxy-benzamide
CID 7916852
N-(4-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 44405448

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 71585157) is N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is WJZRVPUDLXDWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O2/c28-27(29,30)23-10-12-25(13-11-23)34-19-21-6-8-22(9-7-21)26(33)31-24-14-16-32(17-15-24)18-20-4-2-1-3-5-20/h1-13,24H,14-19H2,(H,31,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 468.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 71585157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).