4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C16H22N2O2S — CID 86988977

IUPAC4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-21-12-13-5-7-14(8-6-13)16(20)17-11-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyQLOJDBLSBYZWGC-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.29
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 86988977) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID86988977
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-21-12-13-5-7-14(8-6-13)16(20)17-11-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyQLOJDBLSBYZWGC-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(methylsulfanylmethyl)benzoate
CID 84603123
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 86988977) is 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is CSCc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is QLOJDBLSBYZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-21-12-13-5-7-14(8-6-13)16(20)17-11-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 306.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 86988977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).