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

C17H25ClFN3O2 — CID 70382049

IUPACN-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3,(H,19,23);1H
InChIKeyWTQYGVSPHVJUCZ-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.56
Rot. Bonds6

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

N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 70382049) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
PubChem CID70382049
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC NameN-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3,(H,19,23);1H
InChIKeyWTQYGVSPHVJUCZ-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
CID 23794104
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
(2S,5R)-N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]-2,5-dimethylpiperazine-1-carboxamide
CID 70381488
4-[4-[5-(acetamidomethyl)thiophen-2-yl]-4-oxobutyl]-N-ethylpiperazine-1-carboxamide
CID 19372887
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride (CID 70382049) is N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is WTQYGVSPHVJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3,(H,19,23);1H.
What are the key properties of N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride?
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 70382049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).