methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate

C25H28FN3O5 — CID 55781812

IUPACmethyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H28FN3O5/c1-34-24(32)15-27-22(30)13-17-6-10-21(11-7-17)28-25(33)19-3-2-12-29(16-19)23(31)14-18-4-8-20(26)9-5-18/h4-11,19H,2-3,12-16H2,1H3,(H,27,30)(H,28,33)
InChIKeyWAZIFSYMWXJCKR-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.08
Rot. Bonds8

About methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 55781812) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID55781812
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Namemethyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H28FN3O5/c1-34-24(32)15-27-22(30)13-17-6-10-21(11-7-17)28-25(33)19-3-2-12-29(16-19)23(31)14-18-4-8-20(26)9-5-18/h4-11,19H,2-3,12-16H2,1H3,(H,27,30)(H,28,33)
InChIKeyWAZIFSYMWXJCKR-UHFFFAOYSA-N
XLogP2.08
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86898399
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
1-[2-(4-fluorophenyl)acetyl]-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-3-carboxamide
CID 55761044
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86939589
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 55781812) is methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is WAZIFSYMWXJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-34-24(32)15-27-22(30)13-17-6-10-21(11-7-17)28-25(33)19-3-2-12-29(16-19)23(31)14-18-4-8-20(26)9-5-18/h4-11,19H,2-3,12-16H2,1H3,(H,27,30)(H,28,33).
What are the key properties of methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 469.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).