2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C18H22F4N2O — CID 87014243

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN(Cc1ccccc1F)C1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F4N2O/c19-16-6-2-1-4-13(16)10-24(15-7-8-15)12-17(25)23-9-3-5-14(11-23)18(20,21)22/h1-2,4,6,14-15H,3,5,7-12H2
InChIKeyUDNDNRCRLSZYBW-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.59
Rot. Bonds5

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 87014243) has the molecular formula C18H22F4N2O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID87014243
Molecular FormulaC18H22F4N2O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN(Cc1ccccc1F)C1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F4N2O/c19-16-6-2-1-4-13(16)10-24(15-7-8-15)12-17(25)23-9-3-5-14(11-23)18(20,21)22/h1-2,4,6,14-15H,3,5,7-12H2
InChIKeyUDNDNRCRLSZYBW-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 27106218
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17418944
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100859705
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 55827480
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 87014243) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN(Cc1ccccc1F)C1CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is UDNDNRCRLSZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O/c19-16-6-2-1-4-13(16)10-24(15-7-8-15)12-17(25)23-9-3-5-14(11-23)18(20,21)22/h1-2,4,6,14-15H,3,5,7-12H2.
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 358.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).