azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone

C14H22N4O3S — CID 155873377

IUPACazetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C14H22N4O3S/c1-2-22(20,21)17-11-5-14(6-12-17,18-10-3-7-15-18)13(19)16-8-4-9-16/h3,7,10H,2,4-6,8-9,11-12H2,1H3
InChIKeyZXOSKUZAZQIVHG-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.26
Rot. Bonds4

About azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone

azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 155873377) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID155873377
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Nameazetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C14H22N4O3S/c1-2-22(20,21)17-11-5-14(6-12-17,18-10-3-7-15-18)13(19)16-8-4-9-16/h3,7,10H,2,4-6,8-9,11-12H2,1H3
InChIKeyZXOSKUZAZQIVHG-UHFFFAOYSA-N
XLogP0.26
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
CID 155873466
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-pyrazol-1-ylcyclobutyl)methanone
CID 166313321
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
azetidin-1-yl-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone;formic acid
CID 155879868
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 120925571
azetidin-1-yl-[4-pyrazol-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone;formic acid
CID 155879962

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 155873377) is azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1.
What is the InChIKey of azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is ZXOSKUZAZQIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-2-22(20,21)17-11-5-14(6-12-17,18-10-3-7-15-18)13(19)16-8-4-9-16/h3,7,10H,2,4-6,8-9,11-12H2,1H3.
What are the key properties of azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 326.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 155873377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).