2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide

C16H20F3N3O2 — CID 95330469

IUPAC2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)11-4-3-5-12(8-11)21-10-15(24)22-7-2-1-6-13(22)9-14(20)23/h3-5,8,13,21H,1-2,6-7,9-10H2,(H2,20,23)/t13-/m0/s1
InChIKeyMWZGHUNDUXUHHT-ZDUSSCGKSA-N
MW343.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide

2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide (PubChem CID 95330469) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
PubChem CID95330469
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1C(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)11-4-3-5-12(8-11)21-10-15(24)22-7-2-1-6-13(22)9-14(20)23/h3-5,8,13,21H,1-2,6-7,9-10H2,(H2,20,23)/t13-/m0/s1
InChIKeyMWZGHUNDUXUHHT-ZDUSSCGKSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
CID 95615420
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
2-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
1-[2-(aminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 119466567
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide (CID 95330469) is 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide is NC(=O)C[C@@H]1CCCCN1C(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide?
The InChIKey is MWZGHUNDUXUHHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)11-4-3-5-12(8-11)21-10-15(24)22-7-2-1-6-13(22)9-14(20)23/h3-5,8,13,21H,1-2,6-7,9-10H2,(H2,20,23)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 95330469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).