(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone

C11H20N2O2 — CID 103356057

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1(O)CCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-7-13(8-11)10(14)9-4-2-3-6-12-9/h9,12,15H,2-8H2,1H3/t9-,11?/m0/s1
InChIKeyIWICEHSDHYWXKM-FTNKSUMCSA-N
MW212.29 g/mol
LogP0.11
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 103356057) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID103356057
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1(O)CCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-7-13(8-11)10(14)9-4-2-3-6-12-9/h9,12,15H,2-8H2,1H3/t9-,11?/m0/s1
InChIKeyIWICEHSDHYWXKM-FTNKSUMCSA-N
XLogP0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
CID 103355836
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119791833
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
8-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119816893

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 103356057) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1(O)CCN(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is IWICEHSDHYWXKM-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(15)5-7-13(8-11)10(14)9-4-2-3-6-12-9/h9,12,15H,2-8H2,1H3/t9-,11?/m0/s1.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 103356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).