methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate

C23H24F3N3O5 — CID 66761299

IUPACmethyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C23H24F3N3O5/c1-33-20(30)12-27-22(32)29-13-17(15-7-9-19(10-8-15)34-23(24,25)26)11-18(14-29)28-21(31)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyTWOQBJMUFXYQQM-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.06
Rot. Bonds6

About methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate

methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate (PubChem CID 66761299) has the molecular formula C23H24F3N3O5 and a molecular weight of 479.46 g/mol. Its IUPAC name is methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
PubChem CID66761299
Molecular FormulaC23H24F3N3O5
Molecular Weight479.46 g/mol
Exact Mass479.17
IUPAC Namemethyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C23H24F3N3O5/c1-33-20(30)12-27-22(32)29-13-17(15-7-9-19(10-8-15)34-23(24,25)26)11-18(14-29)28-21(31)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyTWOQBJMUFXYQQM-UHFFFAOYSA-N
XLogP3.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
CID 160956583
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 66762085
1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
CID 66701330
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
CID 70854633
1-(morpholine-4-carbonyl)-N-(2-oxopropyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 160589844
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
[1-[3-benzamido-5-(3,4-dimethylphenyl)piperidine-1-carbonyl]cyclobutyl]-tert-butylcarbamic acid
CID 66761322
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
CID 171684982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate (CID 66761299) is methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CC(NC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is TWOQBJMUFXYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O5/c1-33-20(30)12-27-22(32)29-13-17(15-7-9-19(10-8-15)34-23(24,25)26)11-18(14-29)28-21(31)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 479.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 66761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).