1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione

C12H20N2O2 — CID 70065866

IUPAC1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione
SMILESO=C(C(=O)C1CCCCN1)C1CCCNC1
InChIInChI=1S/C12H20N2O2/c15-11(9-4-3-6-13-8-9)12(16)10-5-1-2-7-14-10/h9-10,13-14H,1-8H2
InChIKeyJNVNLRREMGWJCM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.27
Rot. Bonds3

About 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione

1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione (PubChem CID 70065866) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione.

Molecular Properties

Compound Name1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione
PubChem CID70065866
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione
SMILESO=C(C(=O)C1CCCCN1)C1CCCNC1
InChIInChI=1S/C12H20N2O2/c15-11(9-4-3-6-13-8-9)12(16)10-5-1-2-7-14-10/h9-10,13-14H,1-8H2
InChIKeyJNVNLRREMGWJCM-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

di(piperidin-3-yl)methanone
CID 69183047
(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158458864
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
cyclopentyl piperidine-3-carboxylate
CID 61278605
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
2-methyl-1-[(2S)-piperidin-2-yl]prop-2-en-1-one
CID 165468082
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
(2R)-piperidine-2-carboxylic acid
CID 10725378
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
calcium;(2S)-pyrrolidine-2-carboxylic acid;dichloride
CID 174944173
azacyclohenicosane-2-carboxylic acid
CID 22341743

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione?
The IUPAC name of 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione (CID 70065866) is 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione.
What is the SMILES notation for 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione?
The canonical SMILES for 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione is O=C(C(=O)C1CCCCN1)C1CCCNC1.
What is the InChIKey of 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione?
The InChIKey is JNVNLRREMGWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(9-4-3-6-13-8-9)12(16)10-5-1-2-7-14-10/h9-10,13-14H,1-8H2.
What are the key properties of 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione?
1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione has a molecular weight of 224.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-2-piperidin-3-ylethane-1,2-dione is sourced from PubChem (CID 70065866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).