3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

C17H25BrClN3O2 — CID 119645286

IUPAC3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-2-19-11-13-6-8-21(9-7-13)16(22)12-20-17(23)14-4-3-5-15(18)10-14;/h3-5,10,13,19H,2,6-9,11-12H2,1H3,(H,20,23);1H
InChIKeyVLJRMFSVTSQCTB-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.45
Rot. Bonds6

About 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119645286) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
PubChem CID119645286
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC Name3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-2-19-11-13-6-8-21(9-7-13)16(22)12-20-17(23)14-4-3-5-15(18)10-14;/h3-5,10,13,19H,2,6-9,11-12H2,1H3,(H,20,23);1H
InChIKeyVLJRMFSVTSQCTB-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
CID 55860378
2-[(3-bromophenyl)methyl]-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119647862
methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119647329

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (CID 119645286) is 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is CCNCC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1.Cl.
What is the InChIKey of 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is VLJRMFSVTSQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-2-19-11-13-6-8-21(9-7-13)16(22)12-20-17(23)14-4-3-5-15(18)10-14;/h3-5,10,13,19H,2,6-9,11-12H2,1H3,(H,20,23);1H.
What are the key properties of 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119645286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).