(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone

C11H20N2O2 — CID 107219702

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCCC1(O)CN(C(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)9-4-3-5-12-6-9/h9,12,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyMLRNXPREDPQQMY-SECBINFHSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone (PubChem CID 107219702) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
PubChem CID107219702
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCCC1(O)CN(C(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)9-4-3-5-12-6-9/h9,12,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyMLRNXPREDPQQMY-SECBINFHSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134714
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone (CID 107219702) is (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone is CCC1(O)CN(C(=O)[C@@H]2CCCNC2)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The InChIKey is MLRNXPREDPQQMY-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)9-4-3-5-12-6-9/h9,12,15H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 107219702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).