3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C17H26Cl2N2OS — CID 119824335

IUPAC3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCSc1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/c1-2-12-20(15-7-10-19-11-8-15)17(21)9-13-22-16-5-3-14(18)4-6-16;/h3-6,15,19H,2,7-13H2,1H3;1H
InChIKeyMTXRWASQQYRTEN-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.23
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119824335) has the molecular formula C17H26Cl2N2OS and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119824335
Molecular FormulaC17H26Cl2N2OS
Molecular Weight377.38 g/mol
Exact Mass376.11
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCSc1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/c1-2-12-20(15-7-10-19-11-8-15)17(21)9-13-22-16-5-3-14(18)4-6-16;/h3-6,15,19H,2,7-13H2,1H3;1H
InChIKeyMTXRWASQQYRTEN-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
CID 119825082
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119444658
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
CID 119824208
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825419
4-(3,4-difluorophenyl)-4-oxo-N-piperidin-4-yl-N-propylbutanamide
CID 119824265
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
N-piperidin-4-yl-N-propylhexanamide
CID 60807623

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119824335) is 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CCSc1ccc(Cl)cc1)C1CCNCC1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is MTXRWASQQYRTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS.ClH/c1-2-12-20(15-7-10-19-11-8-15)17(21)9-13-22-16-5-3-14(18)4-6-16;/h3-6,15,19H,2,7-13H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 377.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119824335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).