[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C16H22N2O3S — CID 124954485

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C16H22N2O3S/c19-16(15-5-10-22(20,21)12-15)18-8-3-14(4-9-18)11-13-1-6-17-7-2-13/h1-2,6-7,14-15H,3-5,8-12H2/t15-/m0/s1
InChIKeyFCXWXFZCRUDTLV-HNNXBMFYSA-N
MW322.43 g/mol
LogP1.30
Rot. Bonds3

About [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124954485) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID124954485
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C16H22N2O3S/c19-16(15-5-10-22(20,21)12-15)18-8-3-14(4-9-18)11-13-1-6-17-7-2-13/h1-2,6-7,14-15H,3-5,8-12H2/t15-/m0/s1
InChIKeyFCXWXFZCRUDTLV-HNNXBMFYSA-N
XLogP1.30
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1,1-dioxothiolan-3-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 126442770
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
4-[[(3R)-1-(1,1-dioxothiane-4-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889126
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216122
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 124956749
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 124954485) is [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccncc2)CC1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FCXWXFZCRUDTLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(15-5-10-22(20,21)12-15)18-8-3-14(4-9-18)11-13-1-6-17-7-2-13/h1-2,6-7,14-15H,3-5,8-12H2/t15-/m0/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 322.43 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124954485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).