N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride

C15H21BrClN3O2 — CID 119376082

IUPACN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-3-1-11(2-4-12)15(21)18-8-5-14(20)19-9-6-13(17)7-10-19;/h1-4,13H,5-10,17H2,(H,18,21);1H
InChIKeyAYAMRRRBMXDWNS-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.94
Rot. Bonds4

About N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride

N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride (PubChem CID 119376082) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
PubChem CID119376082
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC NameN-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-3-1-11(2-4-12)15(21)18-8-5-14(20)19-9-6-13(17)7-10-19;/h1-4,13H,5-10,17H2,(H,18,21);1H
InChIKeyAYAMRRRBMXDWNS-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide;hydrochloride
CID 119423345
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 119375106
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119579890
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119468998
1-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-3-(4-bromophenyl)urea;hydrochloride
CID 119423845
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 120808692
4-bromo-N-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 46653083

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The IUPAC name of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride (CID 119376082) is N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride is Cl.NC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The InChIKey is AYAMRRRBMXDWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c16-12-3-1-11(2-4-12)15(21)18-8-5-14(20)19-9-6-13(17)7-10-19;/h1-4,13H,5-10,17H2,(H,18,21);1H.
What are the key properties of N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride?
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 1.94, 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]-4-bromobenzamide;hydrochloride is sourced from PubChem (CID 119376082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).