4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide

C20H30FN3O2 — CID 88694308

IUPAC4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1CCCC=O
InChIInChI=1S/C20H30FN3O2/c1-2-3-5-12-22-20(26)24-14-13-23(16-19(24)7-4-6-15-25)18-10-8-17(21)9-11-18/h8-11,15,19H,2-7,12-14,16H2,1H3,(H,22,26)
InChIKeyPDXXETKRRWUKDM-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.59
Rot. Bonds9

About 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide

4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide (PubChem CID 88694308) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide
PubChem CID88694308
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1CCCC=O
InChIInChI=1S/C20H30FN3O2/c1-2-3-5-12-22-20(26)24-14-13-23(16-19(24)7-4-6-15-25)18-10-8-17(21)9-11-18/h8-11,15,19H,2-7,12-14,16H2,1H3,(H,22,26)
InChIKeyPDXXETKRRWUKDM-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-butyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118087
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359545
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
CID 108514136
2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
CID 163845159
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109145085
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide (CID 88694308) is 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1CCCC=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide?
The InChIKey is PDXXETKRRWUKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-2-3-5-12-22-20(26)24-14-13-23(16-19(24)7-4-6-15-25)18-10-8-17(21)9-11-18/h8-11,15,19H,2-7,12-14,16H2,1H3,(H,22,26).
What are the key properties of 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide?
4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-oxobutyl)-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 88694308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).