N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide

C18H24F3N3O2 — CID 154742860

IUPACN-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNc2ccc(CCC(F)(F)F)cc2)C1
InChIInChI=1S/C18H24F3N3O2/c1-13(25)23-16-3-2-10-24(12-16)17(26)11-22-15-6-4-14(5-7-15)8-9-18(19,20)21/h4-7,16,22H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyIOWAVVABMJUFML-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.72
Rot. Bonds6

About N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide

N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide (PubChem CID 154742860) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide
PubChem CID154742860
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNc2ccc(CCC(F)(F)F)cc2)C1
InChIInChI=1S/C18H24F3N3O2/c1-13(25)23-16-3-2-10-24(12-16)17(26)11-22-15-6-4-14(5-7-15)8-9-18(19,20)21/h4-7,16,22H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyIOWAVVABMJUFML-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[(3R)-1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
CID 97228269
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
CID 134118268
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide (CID 154742860) is N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CNc2ccc(CCC(F)(F)F)cc2)C1.
What is the InChIKey of N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide?
The InChIKey is IOWAVVABMJUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-13(25)23-16-3-2-10-24(12-16)17(26)11-22-15-6-4-14(5-7-15)8-9-18(19,20)21/h4-7,16,22H,2-3,8-12H2,1H3,(H,23,25).
What are the key properties of N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(3,3,3-trifluoropropyl)anilino]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 154742860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).