N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C13H23N3O4S — CID 131944173

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-21(19,20)16-7-4-11(5-8-16)9-14-12(17)10-15-6-2-3-13(15)18/h11H,2-10H2,1H3,(H,14,17)
InChIKeySLDFDFXINRQSKX-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.60
Rot. Bonds5

About N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 131944173) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID131944173
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-21(19,20)16-7-4-11(5-8-16)9-14-12(17)10-15-6-2-3-13(15)18/h11H,2-10H2,1H3,(H,14,17)
InChIKeySLDFDFXINRQSKX-UHFFFAOYSA-N
XLogP-0.60
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131902694
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113241307
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357
N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 50842221
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63869969
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
1-(cyclobutylmethyl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 119151315
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 131944173) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CS(=O)(=O)N1CCC(CNC(=O)CN2CCCC2=O)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is SLDFDFXINRQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-21(19,20)16-7-4-11(5-8-16)9-14-12(17)10-15-6-2-3-13(15)18/h11H,2-10H2,1H3,(H,14,17).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 131944173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).