1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide

C15H22BrN3O — CID 63368743

IUPAC1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m0/s1
InChIKeyUXFBXUZRGYNKML-YZRBJQDESA-N
MW340.27 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide

1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 63368743) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
PubChem CID63368743
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m0/s1
InChIKeyUXFBXUZRGYNKML-YZRBJQDESA-N
XLogP2.56
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide (CID 63368743) is 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccc([C@H](C)N)cc1Br.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is UXFBXUZRGYNKML-YZRBJQDESA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-9-3-4-12(15(18)20)8-19(9)14-6-5-11(10(2)17)7-13(14)16/h5-7,9-10,12H,3-4,8,17H2,1-2H3,(H2,18,20)/t9?,10-,12?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide?
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63368743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).