1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

C14H21BrN2OS — CID 62028973

IUPAC1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1sccc1Br)C1CCNCC1
InChIInChI=1S/C14H21BrN2OS/c1-2-8-17(11-3-6-16-7-4-11)10-13(18)14-12(15)5-9-19-14/h5,9,11,16H,2-4,6-8,10H2,1H3
InChIKeyCZXNMVMZBNTQMW-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.16
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (PubChem CID 62028973) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
PubChem CID62028973
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1sccc1Br)C1CCNCC1
InChIInChI=1S/C14H21BrN2OS/c1-2-8-17(11-3-6-16-7-4-11)10-13(18)14-12(15)5-9-19-14/h5,9,11,16H,2-4,6-8,10H2,1H3
InChIKeyCZXNMVMZBNTQMW-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
CID 78974133
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
CID 62037421
4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
CID 62029927
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119933163
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (CID 62028973) is 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone is CCCN(CC(=O)c1sccc1Br)C1CCNCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The InChIKey is CZXNMVMZBNTQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-2-8-17(11-3-6-16-7-4-11)10-13(18)14-12(15)5-9-19-14/h5,9,11,16H,2-4,6-8,10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone has a molecular weight of 345.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone is sourced from PubChem (CID 62028973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).