4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide

C14H22BrN3OS — CID 103912761

IUPAC4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H22BrN3OS/c1-17(2)14(19)18-9-6-11(7-10-18)16-8-5-12-3-4-13(15)20-12/h3-4,11,16H,5-10H2,1-2H3
InChIKeyRKEWCJKRAJBEJR-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.79
Rot. Bonds4

About 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide

4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 103912761) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID103912761
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H22BrN3OS/c1-17(2)14(19)18-9-6-11(7-10-18)16-8-5-12-3-4-13(15)20-12/h3-4,11,16H,5-10H2,1-2H3
InChIKeyRKEWCJKRAJBEJR-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
(3R)-1-N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94049302
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
ethyl 4-[[N-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328844
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
CID 114139701
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide (CID 103912761) is 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCCc2ccc(Br)s2)CC1.
What is the InChIKey of 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RKEWCJKRAJBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-17(2)14(19)18-9-6-11(7-10-18)16-8-5-12-3-4-13(15)20-12/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide?
4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 103912761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).