1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide

C15H23BrN2OS — CID 2838094

IUPAC1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C15H23BrN2OS/c1-3-18(4-2)15(19)12-6-5-9-17(10-12)11-13-7-8-14(16)20-13/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyMLTSPDZUHQCLEW-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.59
Rot. Bonds5

About 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838094) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838094
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C15H23BrN2OS/c1-3-18(4-2)15(19)12-6-5-9-17(10-12)11-13-7-8-14(16)20-13/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyMLTSPDZUHQCLEW-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
Azepan-1-yl[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone
CID 3242035
(5-Bromothiophen-2-yl)(4-methylpiperazin-1-yl)methanone
CID 17250175
1-(3-Bromothiophene-2-carbonyl)piperidine-3-carboxamide
CID 45826326
1-[4-[2-(5-Bromothiophen-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 72134876
1-(2-Thienylmethyl)-3-piperidinecarboxamide
CID 4417842
N-[(4-bromothiophen-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 56170174
(5-Bromothiophen-2-yl)(3-(trifluoromethyl)piperidin-1-yl)methanone
CID 60655871
N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937744
(5-Bromo-4-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79929076
(3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97079047

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2838094) is 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is MLTSPDZUHQCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-3-18(4-2)15(19)12-6-5-9-17(10-12)11-13-7-8-14(16)20-13/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).