3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one

C12H21N3O4S — CID 63078843

IUPAC3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O4S/c1-9-11(16)13-5-7-15(9)12(17)10-4-3-6-14(8-10)20(2,18)19/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyVGEMGSQNXRYLRY-UHFFFAOYSA-N
MW303.38 g/mol
LogP-1.00
Rot. Bonds2

About 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one

3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one (PubChem CID 63078843) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
PubChem CID63078843
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O4S/c1-9-11(16)13-5-7-15(9)12(17)10-4-3-6-14(8-10)20(2,18)19/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyVGEMGSQNXRYLRY-UHFFFAOYSA-N
XLogP-1.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
N,N-dimethyl-4-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 63373671
(1-methylsulfonylpiperidin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764368
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
(2S)-4-hydroxy-1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151967

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one (CID 63078843) is 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one?
The InChIKey is VGEMGSQNXRYLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-11(16)13-5-7-15(9)12(17)10-4-3-6-14(8-10)20(2,18)19/h9-10H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one?
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one has a molecular weight of 303.38 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63078843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).