N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

C31H33ClF3N3O2 — CID 24995350

IUPACN-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1Cl
InChIInChI=1S/C31H33ClF3N3O2/c32-29-20-27(40-26-14-18-38(19-15-26)25-8-6-23(7-9-25)31(33,34)35)10-11-28(29)30(39)36-24-12-16-37(17-13-24)21-22-4-2-1-3-5-22/h1-11,20,24,26H,12-19,21H2,(H,36,39)
InChIKeyFEJYZGVHLJZFSN-UHFFFAOYSA-N
MW572.07 g/mol
LogP6.80
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (PubChem CID 24995350) has the molecular formula C31H33ClF3N3O2 and a molecular weight of 572.07 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
PubChem CID24995350
Molecular FormulaC31H33ClF3N3O2
Molecular Weight572.07 g/mol
Exact Mass571.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1Cl
InChIInChI=1S/C31H33ClF3N3O2/c32-29-20-27(40-26-14-18-38(19-15-26)25-8-6-23(7-9-25)31(33,34)35)10-11-28(29)30(39)36-24-12-16-37(17-13-24)21-22-4-2-1-3-5-22/h1-11,20,24,26H,12-19,21H2,(H,36,39)
InChIKeyFEJYZGVHLJZFSN-UHFFFAOYSA-N
XLogP6.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.07
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 143807389
2-methyl-4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118250062
2-chloro-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxy-N-[1-[iodo(phenyl)methyl]piperidin-4-yl]benzamide
CID 69040605
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
methyl 4-[[4-[[3-fluoro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzoyl]amino]piperidin-1-yl]methyl]benzoate
CID 24994411
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 166704671
4-[[3-methyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68737854
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456925
(3R)-1-(pyridin-3-ylmethyl)-N-[1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-yl]ethenyl]pyrrolidin-3-amine
CID 143807436
N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
CID 66596089
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;(3E)-3-[[2-methyl-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]methylidene]pent-4-en-2-one
CID 143819139
N-[2-iodo-1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 68733537

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (CID 24995350) is N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The InChIKey is FEJYZGVHLJZFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClF3N3O2/c32-29-20-27(40-26-14-18-38(19-15-26)25-8-6-23(7-9-25)31(33,34)35)10-11-28(29)30(39)36-24-12-16-37(17-13-24)21-22-4-2-1-3-5-22/h1-11,20,24,26H,12-19,21H2,(H,36,39).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide has a molecular weight of 572.07 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24995350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).