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

C17H27ClFN3O — CID 70476620

IUPACN-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-2-19-17(22)21-13-11-20(12-14-21)10-4-3-5-15-6-8-16(18)9-7-15;/h6-9H,2-5,10-14H2,1H3,(H,19,22);1H
InChIKeyHPPWFVKHSWVKDX-UHFFFAOYSA-N
MW343.87 g/mol
LogP2.92
Rot. Bonds6

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

N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 70476620) has the molecular formula C17H27ClFN3O and a molecular weight of 343.87 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
PubChem CID70476620
Molecular FormulaC17H27ClFN3O
Molecular Weight343.87 g/mol
Exact Mass343.18
IUPAC NameN-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-2-19-17(22)21-13-11-20(12-14-21)10-4-3-5-15-6-8-16(18)9-7-15;/h6-9H,2-5,10-14H2,1H3,(H,19,22);1H
InChIKeyHPPWFVKHSWVKDX-UHFFFAOYSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 70381756
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
CID 70382376
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
4-[4-(4-fluorophenyl)butyl]piperazine-1-carbothioamide
CID 88622308

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride (CID 70476620) is N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(CCCCc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is HPPWFVKHSWVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.ClH/c1-2-19-17(22)21-13-11-20(12-14-21)10-4-3-5-15-6-8-16(18)9-7-15;/h6-9H,2-5,10-14H2,1H3,(H,19,22);1H.
What are the key properties of N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 343.87 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 70476620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).