2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone

C19H30FN3O — CID 112801753

IUPAC2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCCCN(CC(=O)N1CCN(C)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-3-4-5-10-22(15-17-6-8-18(20)9-7-17)16-19(24)23-13-11-21(2)12-14-23/h6-9H,3-5,10-16H2,1-2H3
InChIKeyFVGZMPAMVYOWAP-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.59
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 112801753) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID112801753
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCCCN(CC(=O)N1CCN(C)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-3-4-5-10-22(15-17-6-8-18(20)9-7-17)16-19(24)23-13-11-21(2)12-14-23/h6-9H,3-5,10-16H2,1-2H3
InChIKeyFVGZMPAMVYOWAP-UHFFFAOYSA-N
XLogP2.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
N-[(4-fluorophenyl)methyl]-N-[2-(4-propanoylpiperazin-1-yl)ethyl]hexanamide
CID 42710183
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
CID 42709634
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
N-benzyl-4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 3779168
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide
CID 52991511
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
CID 129293464
2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethanone
CID 137387941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 112801753) is 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone is CCCCCN(CC(=O)N1CCN(C)CC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FVGZMPAMVYOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-3-4-5-10-22(15-17-6-8-18(20)9-7-17)16-19(24)23-13-11-21(2)12-14-23/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 335.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 112801753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).