2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

C23H24ClF3N2O3 — CID 124947959

IUPAC2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)ccc1Cl
InChIInChI=1S/C23H24ClF3N2O3/c1-15-11-18(7-8-19(15)24)32-14-22(12-20(28)30)9-2-10-29(13-22)21(31)16-3-5-17(6-4-16)23(25,26)27/h3-8,11H,2,9-10,12-14H2,1H3,(H2,28,30)/t22-/m0/s1
InChIKeyCJIGVXWJNLHGDV-QFIPXVFZSA-N
MW468.90 g/mol
LogP4.84
Rot. Bonds6

About 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 124947959) has the molecular formula C23H24ClF3N2O3 and a molecular weight of 468.90 g/mol. Its IUPAC name is 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
PubChem CID124947959
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.90 g/mol
Exact Mass468.14
IUPAC Name2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)ccc1Cl
InChIInChI=1S/C23H24ClF3N2O3/c1-15-11-18(7-8-19(15)24)32-14-22(12-20(28)30)9-2-10-29(13-22)21(31)16-3-5-17(6-4-16)23(25,26)27/h3-8,11H,2,9-10,12-14H2,1H3,(H2,28,30)/t22-/m0/s1
InChIKeyCJIGVXWJNLHGDV-QFIPXVFZSA-N
XLogP4.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-(2,6-difluorobenzoyl)piperidin-3-yl]acetamide
CID 124957242
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110080193
2-[(3S)-1-(2-bromobenzoyl)-3-[(4-chloro-3-methylphenoxy)methyl]piperidin-3-yl]acetamide
CID 124992539
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[3-[(4-chlorophenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080892
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide
CID 110080213
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide
CID 110165150
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124963761
2-[1-(4-tert-butylbenzoyl)-4-[(4-chloro-3-methylphenoxy)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080555
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (CID 124947959) is 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is Cc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)ccc1Cl.
What is the InChIKey of 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is CJIGVXWJNLHGDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24ClF3N2O3/c1-15-11-18(7-8-19(15)24)32-14-22(12-20(28)30)9-2-10-29(13-22)21(31)16-3-5-17(6-4-16)23(25,26)27/h3-8,11H,2,9-10,12-14H2,1H3,(H2,28,30)/t22-/m0/s1.
What are the key properties of 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 468.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 124947959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).