[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone

C14H22N4O4S — CID 119338230

IUPAC[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C14H22N4O4S/c19-14(12-2-1-4-15-10-12)17-5-7-18(8-6-17)23(20,21)11-13-3-9-22-16-13/h3,9,12,15H,1-2,4-8,10-11H2
InChIKeyBURDCTKJYOCVAA-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.35
Rot. Bonds4

About [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119338230) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID119338230
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C14H22N4O4S/c19-14(12-2-1-4-15-10-12)17-5-7-18(8-6-17)23(20,21)11-13-3-9-22-16-13/h3,9,12,15H,1-2,4-8,10-11H2
InChIKeyBURDCTKJYOCVAA-UHFFFAOYSA-N
XLogP-0.35
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
2-amino-1-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 119338225
3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988744
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
[4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119269801
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 119338230) is [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1.
What is the InChIKey of [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is BURDCTKJYOCVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c19-14(12-2-1-4-15-10-12)17-5-7-18(8-6-17)23(20,21)11-13-3-9-22-16-13/h3,9,12,15H,1-2,4-8,10-11H2.
What are the key properties of [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 342.42 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119338230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).