(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C15H24N4O3S — CID 91921431

IUPAC(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H24N4O3S/c1-17-10-6-16-14(17)15(20)18-7-3-13(11-18)12-4-8-19(9-5-12)23(2,21)22/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeyNYHCWZYRFGACDC-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.55
Rot. Bonds3

About (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91921431) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91921431
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H24N4O3S/c1-17-10-6-16-14(17)15(20)18-7-3-13(11-18)12-4-8-19(9-5-12)23(2,21)22/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeyNYHCWZYRFGACDC-UHFFFAOYSA-N
XLogP0.55
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-4-(methylsulfonyl)piperazine
CID 72907974
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone
CID 97396872
[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
CID 97493578
(4-((1H-imidazol-1-yl)methyl)piperidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 52992556
N-methyl-4-{1-[(1-methyl-1H-imidazol-2-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921373
N~2~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-1-methyl-1H-imidazole-2-carboxamide
CID 91923124
3-[(1-Methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 71847499
4-Fluoro-1-(1-methyl-1H-imidazole-2-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine
CID 132443217
(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 166263491
1-(4-Methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20947102
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53618206
1-methanesulfonyl-4-(4-{[2-(propan-2-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)piperidine
CID 56724041

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91921431) is (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is Cn1ccnc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NYHCWZYRFGACDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-17-10-6-16-14(17)15(20)18-7-3-13(11-18)12-4-8-19(9-5-12)23(2,21)22/h6,10,12-13H,3-5,7-9,11H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91921431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).