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

C19H25N5O3S — CID 121149930

IUPAC(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(n3cc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)23-11-7-16(8-12-23)19(25)22-10-9-17(13-22)24-14-18(20-21-24)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3
InChIKeyPIHIYQGPAXYNFY-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.39
Rot. Bonds4

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

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121149930) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121149930
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(n3cc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)23-11-7-16(8-12-23)19(25)22-10-9-17(13-22)24-14-18(20-21-24)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3
InChIKeyPIHIYQGPAXYNFY-UHFFFAOYSA-N
XLogP1.39
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
[(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
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164
3-(benzenesulfonyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121149932
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (CID 121149930) is (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(n3cc(-c4ccccc4)nn3)C2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PIHIYQGPAXYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-28(26,27)23-11-7-16(8-12-23)19(25)22-10-9-17(13-22)24-14-18(20-21-24)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 403.51 g/mol, XLogP of 1.39, 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)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121149930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).