3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C17H27ClN2O2S — CID 119823512

IUPAC3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(CS(C)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-3-11-19(16-7-9-18-10-8-16)17(20)15-6-4-5-14(12-15)13-22(2)21;/h4-6,12,16,18H,3,7-11,13H2,1-2H3;1H
InChIKeyKSLVNAIMXNRRJJ-UHFFFAOYSA-N
MW358.94 g/mol
LogP2.59
Rot. Bonds6

About 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119823512) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119823512
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC Name3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(CS(C)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-3-11-19(16-7-9-18-10-8-16)17(20)15-6-4-5-14(12-15)13-22(2)21;/h4-6,12,16,18H,3,7-11,13H2,1-2H3;1H
InChIKeyKSLVNAIMXNRRJJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825677
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119823512) is 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(CS(C)=O)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is KSLVNAIMXNRRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-3-11-19(16-7-9-18-10-8-16)17(20)15-6-4-5-14(12-15)13-22(2)21;/h4-6,12,16,18H,3,7-11,13H2,1-2H3;1H.
What are the key properties of 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119823512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).