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

C10H19N3O3S — CID 54973565

IUPAC4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)CC2CCCCN2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-7-13(6-5-12-10)17(15,16)8-9-3-1-2-4-11-9/h9,11H,1-8H2,(H,12,14)
InChIKeyUDWWPNPDNFHJQR-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.11
Rot. Bonds3

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

4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one (PubChem CID 54973565) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
PubChem CID54973565
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)CC2CCCCN2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-7-13(6-5-12-10)17(15,16)8-9-3-1-2-4-11-9/h9,11H,1-8H2,(H,12,14)
InChIKeyUDWWPNPDNFHJQR-UHFFFAOYSA-N
XLogP-1.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114411279
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one (CID 54973565) is 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)CC2CCCCN2)CCN1.
What is the InChIKey of 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one?
The InChIKey is UDWWPNPDNFHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c14-10-7-13(6-5-12-10)17(15,16)8-9-3-1-2-4-11-9/h9,11H,1-8H2,(H,12,14).
What are the key properties of 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one?
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one has a molecular weight of 261.35 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 54973565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).