4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride

C19H31Cl2FN4O — CID 119442759

IUPAC4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N(C)C3CCNCC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C19H29FN4O.2ClH/c1-3-23-10-12-24(13-11-23)18-5-4-15(14-17(18)20)19(25)22(2)16-6-8-21-9-7-16;;/h4-5,14,16,21H,3,6-13H2,1-2H3;2*1H
InChIKeyIKHFUCHPIRQLHU-UHFFFAOYSA-N
MW421.39 g/mol
LogP2.64
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride

4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride (PubChem CID 119442759) has the molecular formula C19H31Cl2FN4O and a molecular weight of 421.39 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
PubChem CID119442759
Molecular FormulaC19H31Cl2FN4O
Molecular Weight421.39 g/mol
Exact Mass420.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N(C)C3CCNCC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C19H29FN4O.2ClH/c1-3-23-10-12-24(13-11-23)18-5-4-15(14-17(18)20)19(25)22(2)16-6-8-21-9-7-16;;/h4-5,14,16,21H,3,6-13H2,1-2H3;2*1H
InChIKeyIKHFUCHPIRQLHU-UHFFFAOYSA-N
XLogP2.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
CID 119426574
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
2-[2-(dimethylamino)ethyl-[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 126789713
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512122
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
CID 119637053
2-[[(2S)-butan-2-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 129414757
3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119441468
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554748

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride (CID 119442759) is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride is CCN1CCN(c2ccc(C(=O)N(C)C3CCNCC3)cc2F)CC1.Cl.Cl.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride?
The InChIKey is IKHFUCHPIRQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O.2ClH/c1-3-23-10-12-24(13-11-23)18-5-4-15(14-17(18)20)19(25)22(2)16-6-8-21-9-7-16;;/h4-5,14,16,21H,3,6-13H2,1-2H3;2*1H.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride?
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride has a molecular weight of 421.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119442759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).