2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C16H24Cl2N2OS — CID 119825165

IUPAC2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(SC)ccc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2OS.ClH/c1-3-10-19(12-6-8-18-9-7-12)16(20)14-11-13(21-2)4-5-15(14)17;/h4-5,11-12,18H,3,6-10H2,1-2H3;1H
InChIKeyHLJFHHMKAVWTNC-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119825165) has the molecular formula C16H24Cl2N2OS and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119825165
Molecular FormulaC16H24Cl2N2OS
Molecular Weight363.35 g/mol
Exact Mass362.10
IUPAC Name2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(SC)ccc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2OS.ClH/c1-3-10-19(12-6-8-18-9-7-12)16(20)14-11-13(21-2)4-5-15(14)17;/h4-5,11-12,18H,3,6-10H2,1-2H3;1H
InChIKeyHLJFHHMKAVWTNC-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826401
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119825165) is 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cc(SC)ccc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is HLJFHHMKAVWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS.ClH/c1-3-10-19(12-6-8-18-9-7-12)16(20)14-11-13(21-2)4-5-15(14)17;/h4-5,11-12,18H,3,6-10H2,1-2H3;1H.
What are the key properties of 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 363.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119825165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).