3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one

C12H23N3O3S — CID 55216931

IUPAC3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H23N3O3S/c1-2-11-12(16)14-6-7-15(11)19(17,18)9-10-4-3-5-13-8-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeySHUDUVCDPHZKKQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.47
Rot. Bonds4

About 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one

3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one (PubChem CID 55216931) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
PubChem CID55216931
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H23N3O3S/c1-2-11-12(16)14-6-7-15(11)19(17,18)9-10-4-3-5-13-8-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeySHUDUVCDPHZKKQ-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62331848
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
CID 63602552
N,2-diethyl-3-oxopiperazine-1-sulfonamide
CID 115638456
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
CID 63600686
4-(1,1-dioxothian-4-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601892
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one (CID 55216931) is 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)CC1CCCNC1.
What is the InChIKey of 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one?
The InChIKey is SHUDUVCDPHZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-2-11-12(16)14-6-7-15(11)19(17,18)9-10-4-3-5-13-8-10/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one?
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one has a molecular weight of 289.40 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 55216931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).