N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide

C18H24FN3O2 — CID 99857032

IUPACN-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-13(14-2-4-15(19)5-3-14)12-21-8-10-22(11-9-21)18(24)17(23)20-16-6-7-16/h2-5,13,16H,6-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyDOMDLHNPTUNPCT-ZDUSSCGKSA-N
MW333.41 g/mol
LogP1.35
Rot. Bonds4

About N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 99857032) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID99857032
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-13(14-2-4-15(19)5-3-14)12-21-8-10-22(11-9-21)18(24)17(23)20-16-6-7-16/h2-5,13,16H,6-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyDOMDLHNPTUNPCT-ZDUSSCGKSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide (CID 99857032) is N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide is C[C@@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is DOMDLHNPTUNPCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13(14-2-4-15(19)5-3-14)12-21-8-10-22(11-9-21)18(24)17(23)20-16-6-7-16/h2-5,13,16H,6-12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 333.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 99857032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).