(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone

C15H28N2O4S — CID 110725414

IUPAC(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-12(2)21-14-6-8-16(9-7-14)15(18)13-4-10-17(11-5-13)22(3,19)20/h12-14H,4-11H2,1-3H3
InChIKeyWYALMXRKSMVTHT-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.07
Rot. Bonds4

About (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone

(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 110725414) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID110725414
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-12(2)21-14-6-8-16(9-7-14)15(18)13-4-10-17(11-5-13)22(3,19)20/h12-14H,4-11H2,1-3H3
InChIKeyWYALMXRKSMVTHT-UHFFFAOYSA-N
XLogP1.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725421
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
1-methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 100626916
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone (CID 110725414) is (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone is CC(C)OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is WYALMXRKSMVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-12(2)21-14-6-8-16(9-7-14)15(18)13-4-10-17(11-5-13)22(3,19)20/h12-14H,4-11H2,1-3H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 110725414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).