1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide

C13H16BrN3O2 — CID 79714737

IUPAC1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C13H16BrN3O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7,15H2,(H2,16,18)
InChIKeyZQKIUIHOJBOKTP-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.37
Rot. Bonds2

About 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide

1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide (PubChem CID 79714737) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
PubChem CID79714737
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C13H16BrN3O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7,15H2,(H2,16,18)
InChIKeyZQKIUIHOJBOKTP-UHFFFAOYSA-N
XLogP1.37
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-(2-amino-4-bromobenzoyl)piperidine-4-carboxylic acid
CID 79722642
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
(2-amino-4-bromophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 79722595
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide (CID 79714737) is 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(Br)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide?
The InChIKey is ZQKIUIHOJBOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide?
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 79714737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).