N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H21FN4O — CID 3238960

IUPACN-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c19-15-4-6-16(7-5-15)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2,(H,21,24)
InChIKeyDQKXIUUFSAZODS-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.37
Rot. Bonds5

About N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3238960) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3238960
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c19-15-4-6-16(7-5-15)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2,(H,21,24)
InChIKeyDQKXIUUFSAZODS-UHFFFAOYSA-N
XLogP2.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3238960) is N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is DQKXIUUFSAZODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-4-6-16(7-5-15)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3238960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).