N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

C24H31FN4O — CID 43956916

IUPACN-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H31FN4O/c1-27(2)21-9-5-18(6-10-21)23(17-26-24(30)19-3-4-19)29-15-13-28(14-16-29)22-11-7-20(25)8-12-22/h5-12,19,23H,3-4,13-17H2,1-2H3,(H,26,30)
InChIKeyOHIDGIRTJFGCLX-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 43956916) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID43956916
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H31FN4O/c1-27(2)21-9-5-18(6-10-21)23(17-26-24(30)19-3-4-19)29-15-13-28(14-16-29)22-11-7-20(25)8-12-22/h5-12,19,23H,3-4,13-17H2,1-2H3,(H,26,30)
InChIKeyOHIDGIRTJFGCLX-UHFFFAOYSA-N
XLogP3.28
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (CID 43956916) is N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is CN(C)c1ccc(C(CNC(=O)C2CC2)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is OHIDGIRTJFGCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-27(2)21-9-5-18(6-10-21)23(17-26-24(30)19-3-4-19)29-15-13-28(14-16-29)22-11-7-20(25)8-12-22/h5-12,19,23H,3-4,13-17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 43956916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).