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

C20H24FN3O — CID 46802310

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-16(20(25)22-18-8-3-2-4-9-18)24-13-11-23(12-14-24)15-17-7-5-6-10-19(17)21/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyWMPIQKKLYUHJQR-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.97
Rot. Bonds5

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

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 46802310) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
PubChem CID46802310
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-16(20(25)22-18-8-3-2-4-9-18)24-13-11-23(12-14-24)15-17-7-5-6-10-19(17)21/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyWMPIQKKLYUHJQR-UHFFFAOYSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30620929
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide (CID 46802310) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is WMPIQKKLYUHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16(20(25)22-18-8-3-2-4-9-18)24-13-11-23(12-14-24)15-17-7-5-6-10-19(17)21/h2-10,16H,11-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 341.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 46802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).