N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide

C20H22F3N3O3 — CID 56551379

IUPACN-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-4-16(11-15)24-13-18(27)26-8-6-14(7-9-26)19(28)25-12-17-5-2-10-29-17/h1-5,10-11,14,24H,6-9,12-13H2,(H,25,28)
InChIKeyDAJXZSIEIJXAMF-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.27
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide (PubChem CID 56551379) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
PubChem CID56551379
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-4-16(11-15)24-13-18(27)26-8-6-14(7-9-26)19(28)25-12-17-5-2-10-29-17/h1-5,10-11,14,24H,6-9,12-13H2,(H,25,28)
InChIKeyDAJXZSIEIJXAMF-UHFFFAOYSA-N
XLogP3.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
N-(furan-2-ylmethyl)-3-[(2-morpholin-4-yl-2-oxoethyl)amino]benzamide
CID 54834688
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 17118927
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54843237
2-[[4-(furan-2-ylmethyl)-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 1173616
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide (CID 56551379) is N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The InChIKey is DAJXZSIEIJXAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-4-16(11-15)24-13-18(27)26-8-6-14(7-9-26)19(28)25-12-17-5-2-10-29-17/h1-5,10-11,14,24H,6-9,12-13H2,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 56551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).