N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide

C19H22FN3O — CID 3349055

IUPACN-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)14-21-19(24)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)
InChIKeyPBYUVGZTMHHJAK-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 3349055) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID3349055
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)14-21-19(24)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)
InChIKeyPBYUVGZTMHHJAK-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 3349055) is N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is PBYUVGZTMHHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)14-21-19(24)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3349055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).