N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride

C15H20BrClFN3O2 — CID 119375106

IUPACN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H19BrFN3O2.ClH/c16-13-2-1-10(17)9-12(13)15(22)19-6-3-14(21)20-7-4-11(18)5-8-20;/h1-2,9,11H,3-8,18H2,(H,19,22);1H
InChIKeyIYDHMUASJLBAFS-UHFFFAOYSA-N
MW408.70 g/mol
LogP2.08
Rot. Bonds4

About N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride

N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride (PubChem CID 119375106) has the molecular formula C15H20BrClFN3O2 and a molecular weight of 408.70 g/mol. Its IUPAC name is N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
PubChem CID119375106
Molecular FormulaC15H20BrClFN3O2
Molecular Weight408.70 g/mol
Exact Mass407.04
IUPAC NameN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H19BrFN3O2.ClH/c16-13-2-1-10(17)9-12(13)15(22)19-6-3-14(21)20-7-4-11(18)5-8-20;/h1-2,9,11H,3-8,18H2,(H,19,22);1H
InChIKeyIYDHMUASJLBAFS-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119562171
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
2-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-fluorobenzamide
CID 51118033
4-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55828074
2-bromo-5-fluoro-N-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 55792700
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 120807548
2-bromo-N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-oxopropyl]-5-fluorobenzamide
CID 55905038
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119411680
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride (CID 119375106) is N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride is Cl.NC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The InChIKey is IYDHMUASJLBAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O2.ClH/c16-13-2-1-10(17)9-12(13)15(22)19-6-3-14(21)20-7-4-11(18)5-8-20;/h1-2,9,11H,3-8,18H2,(H,19,22);1H.
What are the key properties of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride?
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride has a molecular weight of 408.70 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119375106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).