1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide

C12H17BrN2OS — CID 48542178

IUPAC1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-12(16)9-4-6-15(7-5-9)8-10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyZHAWSVQZTKNDDO-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.47
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide

1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 48542178) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID48542178
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-12(16)9-4-6-15(7-5-9)8-10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyZHAWSVQZTKNDDO-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555
N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide
CID 49437929
1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47424733
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703333
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 48542178) is 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ZHAWSVQZTKNDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-14-12(16)9-4-6-15(7-5-9)8-10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3,(H,14,16).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 48542178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).