(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

C18H23N5O3S — CID 91624928

IUPAC(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)22-9-7-15(8-10-22)18(24)21-11-16(12-21)23-13-17(19-20-23)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyUESBHLYIYDVGMZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.00
Rot. Bonds4

About (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91624928) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID91624928
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)22-9-7-15(8-10-22)18(24)21-11-16(12-21)23-13-17(19-20-23)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyUESBHLYIYDVGMZ-UHFFFAOYSA-N
XLogP1.00
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 124892507
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 75473418
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 119099897
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164
cyclohexyl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892076
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (CID 91624928) is (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is UESBHLYIYDVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-27(25,26)22-9-7-15(8-10-22)18(24)21-11-16(12-21)23-13-17(19-20-23)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 389.48 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).