1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide

C15H22BrN3O — CID 103194669

IUPAC1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O/c1-18-15(20)12-5-3-7-19(10-12)14(9-17)11-4-2-6-13(16)8-11/h2,4,6,8,12,14H,3,5,7,9-10,17H2,1H3,(H,18,20)
InChIKeyXGQLIWIUDIUAIQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide

1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194669) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194669
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O/c1-18-15(20)12-5-3-7-19(10-12)14(9-17)11-4-2-6-13(16)8-11/h2,4,6,8,12,14H,3,5,7,9-10,17H2,1H3,(H,18,20)
InChIKeyXGQLIWIUDIUAIQ-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124929567
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194737
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 103194669) is 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(CN)c2cccc(Br)c2)C1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is XGQLIWIUDIUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18-15(20)12-5-3-7-19(10-12)14(9-17)11-4-2-6-13(16)8-11/h2,4,6,8,12,14H,3,5,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide?
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).