3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide

C14H21BrN2OS — CID 79720482

IUPAC3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS/c1-2-8-17(10-11-3-6-16-7-4-11)14(18)13-12(15)5-9-19-13/h5,9,11,16H,2-4,6-8,10H2,1H3
InChIKeyPOQDSZPWMVAJIN-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.36
Rot. Bonds5

About 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide

3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide (PubChem CID 79720482) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
PubChem CID79720482
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS/c1-2-8-17(10-11-3-6-16-7-4-11)14(18)13-12(15)5-9-19-13/h5,9,11,16H,2-4,6-8,10H2,1H3
InChIKeyPOQDSZPWMVAJIN-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
3-methyl-N-(piperidin-4-ylmethyl)-N-propylfuran-2-carboxamide
CID 79720557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide (CID 79720482) is 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide is CCCN(CC1CCNCC1)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The InChIKey is POQDSZPWMVAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-2-8-17(10-11-3-6-16-7-4-11)14(18)13-12(15)5-9-19-13/h5,9,11,16H,2-4,6-8,10H2,1H3.
What are the key properties of 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79720482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).