4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride

C13H20BrClN2OS — CID 119823220

IUPAC4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(Br)cs1)C1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-2-7-16(11-3-5-15-6-4-11)13(17)12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyIHURZSQPAIGEJQ-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.54
Rot. Bonds4

About 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride

4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride (PubChem CID 119823220) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
PubChem CID119823220
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC Name4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(Br)cs1)C1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-2-7-16(11-3-5-15-6-4-11)13(17)12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyIHURZSQPAIGEJQ-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823292
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
3,5-dimethyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823817
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 119824471
N-piperidin-4-yl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266924

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride (CID 119823220) is 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride is CCCN(C(=O)c1cc(Br)cs1)C1CCNCC1.Cl.
What is the InChIKey of 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The InChIKey is IHURZSQPAIGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c1-2-7-16(11-3-5-15-6-4-11)13(17)12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H.
What are the key properties of 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride has a molecular weight of 367.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119823220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).