N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide

C22H24F3N3O — CID 53233936

IUPACN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H24F3N3O/c1-27-11-13-28(14-12-27)19-8-7-17(22(23,24)25)15-18(19)26-20(29)21(9-10-21)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,26,29)
InChIKeyLVSOLSNXJMGGCO-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.13
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide

N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 53233936) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID53233936
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H24F3N3O/c1-27-11-13-28(14-12-27)19-8-7-17(22(23,24)25)15-18(19)26-20(29)21(9-10-21)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,26,29)
InChIKeyLVSOLSNXJMGGCO-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide (CID 53233936) is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide is CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is LVSOLSNXJMGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-27-11-13-28(14-12-27)19-8-7-17(22(23,24)25)15-18(19)26-20(29)21(9-10-21)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 53233936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).