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

C13H24N2O — CID 104912723

IUPAC(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H24N2O/c1-2-11-7-4-6-10-15(11)13(16)12-8-3-5-9-14-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyYQYBCJAUKBYARM-KIYNQFGBSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds2

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

(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 104912723) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID104912723
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H24N2O/c1-2-11-7-4-6-10-15(11)13(16)12-8-3-5-9-14-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyYQYBCJAUKBYARM-KIYNQFGBSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129359602
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 104912723) is (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is CCC1CCCCN1C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is YQYBCJAUKBYARM-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11-7-4-6-10-15(11)13(16)12-8-3-5-9-14-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1.
What are the key properties of (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104912723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).