N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide

C11H20N4O4S — CID 47766348

IUPACN-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C11H20N4O4S/c1-20(18,19)15-5-2-3-9(7-15)13-11(17)14-6-4-12-10(16)8-14/h9H,2-8H2,1H3,(H,12,16)(H,13,17)
InChIKeyYYWCOVRVHSGKRP-UHFFFAOYSA-N
MW304.37 g/mol
LogP-1.45
Rot. Bonds2

About N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 47766348) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
PubChem CID47766348
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C11H20N4O4S/c1-20(18,19)15-5-2-3-9(7-15)13-11(17)14-6-4-12-10(16)8-14/h9H,2-8H2,1H3,(H,12,16)(H,13,17)
InChIKeyYYWCOVRVHSGKRP-UHFFFAOYSA-N
XLogP-1.45
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
CID 71785545
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47765772
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide (CID 47766348) is N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)N2CCNC(=O)C2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is YYWCOVRVHSGKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-20(18,19)15-5-2-3-9(7-15)13-11(17)14-6-4-12-10(16)8-14/h9H,2-8H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 304.37 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 47766348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).