2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C17H26BrClN2OS — CID 119826199

IUPAC2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Sc1ccc(Br)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25BrN2OS.ClH/c1-3-12-20(15-8-10-19-11-9-15)17(21)13(2)22-16-6-4-14(18)5-7-16;/h4-7,13,15,19H,3,8-12H2,1-2H3;1H
InChIKeyBIBCBYYZIUHNCX-UHFFFAOYSA-N
MW421.83 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119826199) has the molecular formula C17H26BrClN2OS and a molecular weight of 421.83 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119826199
Molecular FormulaC17H26BrClN2OS
Molecular Weight421.83 g/mol
Exact Mass420.06
IUPAC Name2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Sc1ccc(Br)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25BrN2OS.ClH/c1-3-12-20(15-8-10-19-11-9-15)17(21)13(2)22-16-6-4-14(18)5-7-16;/h4-7,13,15,19H,3,8-12H2,1-2H3;1H
InChIKeyBIBCBYYZIUHNCX-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119826199) is 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)C(C)Sc1ccc(Br)cc1)C1CCNCC1.Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is BIBCBYYZIUHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2OS.ClH/c1-3-12-20(15-8-10-19-11-9-15)17(21)13(2)22-16-6-4-14(18)5-7-16;/h4-7,13,15,19H,3,8-12H2,1-2H3;1H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 421.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).