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

C18H29Cl2FN4O — CID 119426574

IUPAC4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)NC3CCCNC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C18H27FN4O.2ClH/c1-2-22-8-10-23(11-9-22)17-6-5-14(12-16(17)19)18(24)21-15-4-3-7-20-13-15;;/h5-6,12,15,20H,2-4,7-11,13H2,1H3,(H,21,24);2*1H
InChIKeyQWKGFUUEQBZHPF-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.29
Rot. Bonds4

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

4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride (PubChem CID 119426574) has the molecular formula C18H29Cl2FN4O and a molecular weight of 407.36 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
PubChem CID119426574
Molecular FormulaC18H29Cl2FN4O
Molecular Weight407.36 g/mol
Exact Mass406.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)NC3CCCNC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C18H27FN4O.2ClH/c1-2-22-8-10-23(11-9-22)17-6-5-14(12-16(17)19)18(24)21-15-4-3-7-20-13-15;;/h5-6,12,15,20H,2-4,7-11,13H2,1H3,(H,21,24);2*1H
InChIKeyQWKGFUUEQBZHPF-UHFFFAOYSA-N
XLogP2.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512122
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-[[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119357271
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119574006
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride
CID 119623424

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride (CID 119426574) is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride is CCN1CCN(c2ccc(C(=O)NC3CCCNC3)cc2F)CC1.Cl.Cl.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride?
The InChIKey is QWKGFUUEQBZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O.2ClH/c1-2-22-8-10-23(11-9-22)17-6-5-14(12-16(17)19)18(24)21-15-4-3-7-20-13-15;;/h5-6,12,15,20H,2-4,7-11,13H2,1H3,(H,21,24);2*1H.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride?
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride has a molecular weight of 407.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 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-piperidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119426574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).