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

C15H20BrN3O2 — CID 119380849

IUPACN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
SMILESNC1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)15(21)18-8-7-14(20)19-9-1-2-13(17)10-19/h3-6,13H,1-2,7-10,17H2,(H,18,21)
InChIKeyOPTAWIIVFZFHHK-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.52
Rot. Bonds4

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

N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide (PubChem CID 119380849) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
PubChem CID119380849
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
SMILESNC1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)15(21)18-8-7-14(20)19-9-1-2-13(17)10-19/h3-6,13H,1-2,7-10,17H2,(H,18,21)
InChIKeyOPTAWIIVFZFHHK-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119579890
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119468998
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
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-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide?
The IUPAC name of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide (CID 119380849) is N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide.
What is the SMILES notation for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide?
The canonical SMILES for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide is NC1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide?
The InChIKey is OPTAWIIVFZFHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)15(21)18-8-7-14(20)19-9-1-2-13(17)10-19/h3-6,13H,1-2,7-10,17H2,(H,18,21).
What are the key properties of N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide?
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide has a molecular weight of 354.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide is sourced from PubChem (CID 119380849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).