N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide

C20H24FN3O — CID 109020701

IUPACN-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C20H24FN3O/c21-19-9-5-4-6-17(19)16-22-20(25)10-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25)
InChIKeyBVVHDBWEUYBUEI-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109020701) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109020701
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C20H24FN3O/c21-19-9-5-4-6-17(19)16-22-20(25)10-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25)
InChIKeyBVVHDBWEUYBUEI-UHFFFAOYSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91841494
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
1-[(2-fluorophenyl)methyl]-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111266609
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 4869354
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71998190
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71984489

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (CID 109020701) is N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is BVVHDBWEUYBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-9-5-4-6-17(19)16-22-20(25)10-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 341.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109020701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).