4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide

C17H23BrN2O2 — CID 51147871

IUPAC4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O2/c1-2-15-5-3-4-12-20(15)16(21)10-11-19-17(22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)
InChIKeyWELSDVMADUAEAQ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.36
Rot. Bonds5

About 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide

4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide (PubChem CID 51147871) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
PubChem CID51147871
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O2/c1-2-15-5-3-4-12-20(15)16(21)10-11-19-17(22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)
InChIKeyWELSDVMADUAEAQ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119468998
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
1-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-3-(4-bromophenyl)urea
CID 119469097
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide (CID 51147871) is 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide is CCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is WELSDVMADUAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-2-15-5-3-4-12-20(15)16(21)10-11-19-17(22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,22).
What are the key properties of 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide?
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 367.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 51147871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).