1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide

C13H18BrN3O — CID 65343443

IUPAC1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Br)ccc1N
InChIInChI=1S/C13H18BrN3O/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyGQFNXXGKCHFGNO-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide

1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide (PubChem CID 65343443) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
PubChem CID65343443
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Br)ccc1N
InChIInChI=1S/C13H18BrN3O/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyGQFNXXGKCHFGNO-UHFFFAOYSA-N
XLogP2.12
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide (CID 65343443) is 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is GQFNXXGKCHFGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(14)4-5-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 65343443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).