N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide

C17H27FN4O — CID 120848299

IUPACN-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESCC(C)(N)CN1CCN(CCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN4O/c1-17(2,19)13-22-11-9-21(10-12-22)8-7-20-16(23)14-5-3-4-6-15(14)18/h3-6H,7-13,19H2,1-2H3,(H,20,23)
InChIKeyCFUPKASINNUBOI-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.91
Rot. Bonds6

About N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide

N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide (PubChem CID 120848299) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
PubChem CID120848299
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC NameN-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESCC(C)(N)CN1CCN(CCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN4O/c1-17(2,19)13-22-11-9-21(10-12-22)8-7-20-16(23)14-5-3-4-6-15(14)18/h3-6H,7-13,19H2,1-2H3,(H,20,23)
InChIKeyCFUPKASINNUBOI-UHFFFAOYSA-N
XLogP0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
N-[2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]ethyl]-2-fluorobenzamide;dihydrochloride
CID 120596619
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154771495
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 75462777
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide (CID 120848299) is N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide is CC(C)(N)CN1CCN(CCNC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The InChIKey is CFUPKASINNUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-17(2,19)13-22-11-9-21(10-12-22)8-7-20-16(23)14-5-3-4-6-15(14)18/h3-6H,7-13,19H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide has a molecular weight of 322.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 120848299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).