2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide

C18H25N3O2S — CID 119427657

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2S/c22-17(21-10-3-4-11-21)13-24-16-8-2-1-7-15(16)18(23)20-14-6-5-9-19-12-14/h1-2,7-8,14,19H,3-6,9-13H2,(H,20,23)
InChIKeyRRKBYKAGTQPCMT-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide (PubChem CID 119427657) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
PubChem CID119427657
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C18H25N3O2S/c22-17(21-10-3-4-11-21)13-24-16-8-2-1-7-15(16)18(23)20-14-6-5-9-19-12-14/h1-2,7-8,14,19H,3-6,9-13H2,(H,20,23)
InChIKeyRRKBYKAGTQPCMT-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 120557119
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451548
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119450088
N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119426390
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 7209185
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide (CID 119427657) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide?
The InChIKey is RRKBYKAGTQPCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(21-10-3-4-11-21)13-24-16-8-2-1-7-15(16)18(23)20-14-6-5-9-19-12-14/h1-2,7-8,14,19H,3-6,9-13H2,(H,20,23).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide has a molecular weight of 347.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119427657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).