oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H28F3N3O5 — CID 171668861

IUPACoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(N2CCCCC2)CC1)Nc1ccccc1C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C19H26F3N3O.C2H2O4/c20-19(21,22)16-6-2-3-7-17(16)23-18(26)14-24-12-8-15(9-13-24)25-10-4-1-5-11-25;3-1(4)2(5)6/h2-3,6-7,15H,1,4-5,8-14H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyGAAFJJXGQXMKOB-UHFFFAOYSA-N
MW459.47 g/mol
LogP2.75
Rot. Bonds4

About oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 171668861) has the molecular formula C21H28F3N3O5 and a molecular weight of 459.47 g/mol. Its IUPAC name is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID171668861
Molecular FormulaC21H28F3N3O5
Molecular Weight459.47 g/mol
Exact Mass459.20
IUPAC Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(N2CCCCC2)CC1)Nc1ccccc1C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C19H26F3N3O.C2H2O4/c20-19(21,22)16-6-2-3-7-17(16)23-18(26)14-24-12-8-15(9-13-24)25-10-4-1-5-11-25;3-1(4)2(5)6/h2-3,6-7,15H,1,4-5,8-14H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyGAAFJJXGQXMKOB-UHFFFAOYSA-N
XLogP2.75
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
methyl 2-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
CID 11837383
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3670383
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126795931

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 171668861) is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(N2CCCCC2)CC1)Nc1ccccc1C(F)(F)F.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GAAFJJXGQXMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O.C2H2O4/c20-19(21,22)16-6-2-3-7-17(16)23-18(26)14-24-12-8-15(9-13-24)25-10-4-1-5-11-25;3-1(4)2(5)6/h2-3,6-7,15H,1,4-5,8-14H2,(H,23,26);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171668861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).