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

C19H22FN3O — CID 655751

IUPACN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)14-16-4-2-3-5-19(16)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyJKEVCKARBFJSSC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.11
Rot. Bonds4

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

N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 655751) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide
PubChem CID655751
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)14-16-4-2-3-5-19(16)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyJKEVCKARBFJSSC-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide (CID 655751) is N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is JKEVCKARBFJSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)14-16-4-2-3-5-19(16)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide?
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 327.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).