4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide

C18H28N2OS — CID 119824388

IUPAC4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CSCC)cc1)C1CCNCC1
InChIInChI=1S/C18H28N2OS/c1-3-13-20(17-9-11-19-12-10-17)18(21)16-7-5-15(6-8-16)14-22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3
InChIKeyYBYKBJTUNSVVNO-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.54
Rot. Bonds7

About 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide

4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119824388) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119824388
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CSCC)cc1)C1CCNCC1
InChIInChI=1S/C18H28N2OS/c1-3-13-20(17-9-11-19-12-10-17)18(21)16-7-5-15(6-8-16)14-22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3
InChIKeyYBYKBJTUNSVVNO-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 119824648
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide (CID 119824388) is 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(CSCC)cc1)C1CCNCC1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is YBYKBJTUNSVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-3-13-20(17-9-11-19-12-10-17)18(21)16-7-5-15(6-8-16)14-22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3.
What are the key properties of 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide?
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 320.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119824388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).