bis[(2S)-piperidin-2-yl]methanone

C11H20N2O — CID 174971247

IUPACbis[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h9-10,12-13H,1-8H2/t9-,10-/m0/s1
InChIKeyQRJZZDMDCUQSRZ-UWVGGRQHSA-N
MW196.29 g/mol
LogP0.84
Rot. Bonds2

About bis[(2S)-piperidin-2-yl]methanone

bis[(2S)-piperidin-2-yl]methanone (PubChem CID 174971247) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is bis[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Namebis[(2S)-piperidin-2-yl]methanone
PubChem CID174971247
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namebis[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h9-10,12-13H,1-8H2/t9-,10-/m0/s1
InChIKeyQRJZZDMDCUQSRZ-UWVGGRQHSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
(2R)-piperidine-2-carboxylic acid
CID 10725378
azacyclohenicosane-2-carboxylic acid
CID 22341743
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
sodium (2S)-piperidine-2-carboxylate
CID 23691892
[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
CID 124675210
1-piperidin-2-ylprop-2-en-1-one
CID 116547790
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769

Frequently Asked Questions

What is the IUPAC name of bis[(2S)-piperidin-2-yl]methanone?
The IUPAC name of bis[(2S)-piperidin-2-yl]methanone (CID 174971247) is bis[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for bis[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for bis[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)[C@@H]1CCCCN1.
What is the InChIKey of bis[(2S)-piperidin-2-yl]methanone?
The InChIKey is QRJZZDMDCUQSRZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h9-10,12-13H,1-8H2/t9-,10-/m0/s1.
What are the key properties of bis[(2S)-piperidin-2-yl]methanone?
bis[(2S)-piperidin-2-yl]methanone has a molecular weight of 196.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 174971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).