(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C16H26N4O4S — CID 91916386

IUPAC(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1
InChIInChI=1S/C16H26N4O4S/c1-18-11-15(17-12-18)16(21)19-7-3-13(4-8-19)24-14-5-9-20(10-6-14)25(2,22)23/h11-14H,3-10H2,1-2H3
InChIKeyOEODRODANAEXOG-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.47
Rot. Bonds4

About (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916386) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916386
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1
InChIInChI=1S/C16H26N4O4S/c1-18-11-15(17-12-18)16(21)19-7-3-13(4-8-19)24-14-5-9-20(10-6-14)25(2,22)23/h11-14H,3-10H2,1-2H3
InChIKeyOEODRODANAEXOG-UHFFFAOYSA-N
XLogP0.47
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[(5aS,9aR)-1-methylsulfonyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]-(1-methylimidazol-4-yl)methanone
CID 110143101
(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916339
(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916336
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 145375199
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916386) is (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is OEODRODANAEXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-18-11-15(17-12-18)16(21)19-7-3-13(4-8-19)24-14-5-9-20(10-6-14)25(2,22)23/h11-14H,3-10H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).