N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide

C15H22FN3O — CID 70476993

IUPACN-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
SMILESO=C(NCCCCc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c16-14-6-4-13(5-7-14)3-1-2-8-18-15(20)19-11-9-17-10-12-19/h4-7,17H,1-3,8-12H2,(H,18,20)
InChIKeyBSFQXZFKRRBZHJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.76
Rot. Bonds5

About N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide

N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide (PubChem CID 70476993) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
PubChem CID70476993
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
SMILESO=C(NCCCCc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c16-14-6-4-13(5-7-14)3-1-2-8-18-15(20)19-11-9-17-10-12-19/h4-7,17H,1-3,8-12H2,(H,18,20)
InChIKeyBSFQXZFKRRBZHJ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
CID 82291687
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxamide
CID 166237784
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-(3-hydroxypropyl)piperazine-1-carboxamide
CID 127561442
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide (CID 70476993) is N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide is O=C(NCCCCc1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The InChIKey is BSFQXZFKRRBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-14-6-4-13(5-7-14)3-1-2-8-18-15(20)19-11-9-17-10-12-19/h4-7,17H,1-3,8-12H2,(H,18,20).
What are the key properties of N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 70476993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).