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

C16H24BrN3O — CID 103194675

IUPAC1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H24BrN3O/c1-11(18)15(12-5-3-7-14(17)9-12)20-8-4-6-13(10-20)16(21)19-2/h3,5,7,9,11,13,15H,4,6,8,10,18H2,1-2H3,(H,19,21)
InChIKeyWMSMUDVOGCJCQV-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.30
Rot. Bonds4

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

1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194675) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194675
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H24BrN3O/c1-11(18)15(12-5-3-7-14(17)9-12)20-8-4-6-13(10-20)16(21)19-2/h3,5,7,9,11,13,15H,4,6,8,10,18H2,1-2H3,(H,19,21)
InChIKeyWMSMUDVOGCJCQV-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194737
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide
CID 103194726
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide (CID 103194675) is 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(c2cccc(Br)c2)C(C)N)C1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is WMSMUDVOGCJCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(18)15(12-5-3-7-14(17)9-12)20-8-4-6-13(10-20)16(21)19-2/h3,5,7,9,11,13,15H,4,6,8,10,18H2,1-2H3,(H,19,21).
What are the key properties of 1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide?
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 2.30, 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)propyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).