(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C19H32N4O3S — CID 56724041

IUPAC(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-15(2)18-20-8-13-22(18)14-16-4-9-21(10-5-16)19(24)17-6-11-23(12-7-17)27(3,25)26/h8,13,15-17H,4-7,9-12,14H2,1-3H3
InChIKeyFZAIGGDMYNJQRZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.92
Rot. Bonds5

About (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56724041) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56724041
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-15(2)18-20-8-13-22(18)14-16-4-9-21(10-5-16)19(24)17-6-11-23(12-7-17)27(3,25)26/h8,13,15-17H,4-7,9-12,14H2,1-3H3
InChIKeyFZAIGGDMYNJQRZ-UHFFFAOYSA-N
XLogP1.92
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
1-butylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494355
1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492909
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56724041) is (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)c1nccn1CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FZAIGGDMYNJQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-15(2)18-20-8-13-22(18)14-16-4-9-21(10-5-16)19(24)17-6-11-23(12-7-17)27(3,25)26/h8,13,15-17H,4-7,9-12,14H2,1-3H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 396.56 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56724041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).