N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

C14H20FN3O — CID 649412

IUPACN-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyUDNRTWAJEUUWNA-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.40
Rot. Bonds4

About N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 649412) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID649412
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyUDNRTWAJEUUWNA-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 649412) is N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is UDNRTWAJEUUWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17-7-9-18(10-8-17)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3,(H,16,19).
What are the key properties of N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 265.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 649412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).