N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide

C19H24F3N3O2 — CID 139461424

IUPACN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)C2CC2)CC1
InChIInChI=1S/C19H24F3N3O2/c1-24-8-10-25(11-9-24)18(27)16(23-17(26)13-6-7-13)12-14-4-2-3-5-15(14)19(20,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPFXMOHFPCODLRO-INIZCTEOSA-N
MW383.41 g/mol
LogP1.92
Rot. Bonds5

About N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide

N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide (PubChem CID 139461424) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
PubChem CID139461424
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)C2CC2)CC1
InChIInChI=1S/C19H24F3N3O2/c1-24-8-10-25(11-9-24)18(27)16(23-17(26)13-6-7-13)12-14-4-2-3-5-15(14)19(20,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPFXMOHFPCODLRO-INIZCTEOSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
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N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110286467
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
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(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
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1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
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N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
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N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
CID 53161589
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide (CID 139461424) is N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide is CN1CCN(C(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)C2CC2)CC1.
What is the InChIKey of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The InChIKey is PFXMOHFPCODLRO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-24-8-10-25(11-9-24)18(27)16(23-17(26)13-6-7-13)12-14-4-2-3-5-15(14)19(20,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139461424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).