(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone

C11H20N2O — CID 90464822

IUPAC(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O/c1-9-5-4-8-13(9)11(14)10-6-2-3-7-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyBMFRBVQLSPUKJN-AXDSSHIGSA-N
MW196.29 g/mol
LogP1.14
Rot. Bonds1

About (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone

(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 90464822) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID90464822
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O/c1-9-5-4-8-13(9)11(14)10-6-2-3-7-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyBMFRBVQLSPUKJN-AXDSSHIGSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22880971
1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 64569542
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 90464822) is (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1CCCN1C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is BMFRBVQLSPUKJN-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-5-4-8-13(9)11(14)10-6-2-3-7-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 196.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 90464822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).