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

C13H20N4O3S — CID 155879258

IUPACazetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-10-4-13(5-11-16,17-9-2-6-14-17)12(18)15-7-3-8-15/h2,6,9H,3-5,7-8,10-11H2,1H3
InChIKeyJBUKECMYGSQEQV-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.13
Rot. Bonds3

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

azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 155879258) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID155879258
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Nameazetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-10-4-13(5-11-16,17-9-2-6-14-17)12(18)15-7-3-8-15/h2,6,9H,3-5,7-8,10-11H2,1H3
InChIKeyJBUKECMYGSQEQV-UHFFFAOYSA-N
XLogP-0.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874326
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
CID 155872661
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-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-pyrazol-1-ylcyclobutyl)methanone
CID 166313321
(2R)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 124506573
(E)-1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 155872921

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 155879258) is azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1.
What is the InChIKey of azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is JBUKECMYGSQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)16-10-4-13(5-11-16,17-9-2-6-14-17)12(18)15-7-3-8-15/h2,6,9H,3-5,7-8,10-11H2,1H3.
What are the key properties of azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone?
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 312.39 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 155879258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).