N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide

C18H25N3O2S — CID 122158233

IUPACN-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCN(C2CCN(C)C2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-20-10-9-15(18(20)23)21-11-7-13(8-12-21)19-17(22)14-5-3-4-6-16(14)24-2/h3-6,13,15H,7-12H2,1-2H3,(H,19,22)
InChIKeyLXMZZYHQJDYEJF-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.83
Rot. Bonds4

About N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide

N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide (PubChem CID 122158233) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
PubChem CID122158233
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCN(C2CCN(C)C2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-20-10-9-15(18(20)23)21-11-7-13(8-12-21)19-17(22)14-5-3-4-6-16(14)24-2/h3-6,13,15H,7-12H2,1-2H3,(H,19,22)
InChIKeyLXMZZYHQJDYEJF-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 129347414
3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
CID 128903269
4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
CID 138997449
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 129347326
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
CID 80662433
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide (CID 122158233) is N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC1CCN(C2CCN(C)C2=O)CC1.
What is the InChIKey of N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The InChIKey is LXMZZYHQJDYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-20-10-9-15(18(20)23)21-11-7-13(8-12-21)19-17(22)14-5-3-4-6-16(14)24-2/h3-6,13,15H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide has a molecular weight of 347.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 122158233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).