5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide

C15H22FN3O — CID 123618863

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
SMILESNC(=O)CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c16-13-5-1-2-6-14(13)19-11-9-18(10-12-19)8-4-3-7-15(17)20/h1-2,5-6H,3-4,7-12H2,(H2,17,20)
InChIKeyMZJOXRBYXWMBAX-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.60
Rot. Bonds6

About 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide

5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide (PubChem CID 123618863) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
PubChem CID123618863
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
SMILESNC(=O)CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c16-13-5-1-2-6-14(13)19-11-9-18(10-12-19)8-4-3-7-15(17)20/h1-2,5-6H,3-4,7-12H2,(H2,17,20)
InChIKeyMZJOXRBYXWMBAX-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 22029307
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide (CID 123618863) is 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide is NC(=O)CCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide?
The InChIKey is MZJOXRBYXWMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-13-5-1-2-6-14(13)19-11-9-18(10-12-19)8-4-3-7-15(17)20/h1-2,5-6H,3-4,7-12H2,(H2,17,20).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide has a molecular weight of 279.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 123618863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).