N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride

C16H23BrClN3O2 — CID 119468998

IUPACN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2.ClH/c17-13-6-4-12(5-7-13)16(22)19-9-8-15(21)20-10-2-1-3-14(20)11-18;/h4-7,14H,1-3,8-11,18H2,(H,19,22);1H
InChIKeyAMVXMGDSXMXYIE-UHFFFAOYSA-N
MW404.74 g/mol
LogP2.33
Rot. Bonds5

About N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride

N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride (PubChem CID 119468998) has the molecular formula C16H23BrClN3O2 and a molecular weight of 404.74 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
PubChem CID119468998
Molecular FormulaC16H23BrClN3O2
Molecular Weight404.74 g/mol
Exact Mass403.07
IUPAC NameN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2.ClH/c17-13-6-4-12(5-7-13)16(22)19-9-8-15(21)20-10-2-1-3-14(20)11-18;/h4-7,14H,1-3,8-11,18H2,(H,19,22);1H
InChIKeyAMVXMGDSXMXYIE-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
1-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-3-(4-bromophenyl)urea
CID 119469097
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119466693
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 119468463
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The IUPAC name of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride (CID 119468998) is N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The canonical SMILES for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride is Cl.NCC1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
The InChIKey is AMVXMGDSXMXYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2.ClH/c17-13-6-4-12(5-7-13)16(22)19-9-8-15(21)20-10-2-1-3-14(20)11-18;/h4-7,14H,1-3,8-11,18H2,(H,19,22);1H.
What are the key properties of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride?
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride has a molecular weight of 404.74 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride is sourced from PubChem (CID 119468998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).