2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C19H25F3N2O — CID 86708248

IUPAC2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCN1CCC(CCN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyIUIYBVOCXNGXBW-DLBZAZTESA-N
MW354.42 g/mol
LogP3.67
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 86708248) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID86708248
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCN1CCC(CCN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyIUIYBVOCXNGXBW-DLBZAZTESA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide with MolForge

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Related Compounds

AI3-37157
CID 760213
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
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1-Acetyl-4-(2,2-diphenylethyl)piperazine
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4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
1-(4-Pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 18456182
1-(4-Pentan-3-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 49860499
1-(Cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
CID 59497075
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
N-Trifluoroacetyldeoxyephedrine
CID 4601088
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 86708248) is 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is CN1CCC(CCN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is IUIYBVOCXNGXBW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 354.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 86708248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).