2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride

C13H19Cl3N2OS — CID 119824416

IUPAC2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C13H18Cl2N2OS.ClH/c1-2-7-17(9-3-5-16-6-4-9)13(18)10-8-11(14)19-12(10)15;/h8-9,16H,2-7H2,1H3;1H
InChIKeyCELKCSILMSFNID-UHFFFAOYSA-N
MW357.73 g/mol
LogP4.08
Rot. Bonds4

About 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride

2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride (PubChem CID 119824416) has the molecular formula C13H19Cl3N2OS and a molecular weight of 357.73 g/mol. Its IUPAC name is 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
PubChem CID119824416
Molecular FormulaC13H19Cl3N2OS
Molecular Weight357.73 g/mol
Exact Mass356.03
IUPAC Name2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C13H18Cl2N2OS.ClH/c1-2-7-17(9-3-5-16-6-4-9)13(18)10-8-11(14)19-12(10)15;/h8-9,16H,2-7H2,1H3;1H
InChIKeyCELKCSILMSFNID-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823220
N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
CID 107961735
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride (CID 119824416) is 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride is CCCN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride?
The InChIKey is CELKCSILMSFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS.ClH/c1-2-7-17(9-3-5-16-6-4-9)13(18)10-8-11(14)19-12(10)15;/h8-9,16H,2-7H2,1H3;1H.
What are the key properties of 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride?
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride has a molecular weight of 357.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).