1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione

C13H22N2O2 — CID 108941930

IUPAC1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC1CCN(C(=O)CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-11-4-8-15(9-5-11)13(17)10-12(16)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyXEIGSCRNTQDTHB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione

1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (PubChem CID 108941930) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
PubChem CID108941930
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC1CCN(C(=O)CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-11-4-8-15(9-5-11)13(17)10-12(16)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyXEIGSCRNTQDTHB-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
2-bromo-1-(4-methylazepan-1-yl)ethanone
CID 63679167
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
N-ethyl-4-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111211907
methyl 4-methylazocane-1-carboxylate
CID 91583832

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (CID 108941930) is 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione is CC1CCN(C(=O)CC(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The InChIKey is XEIGSCRNTQDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-4-8-15(9-5-11)13(17)10-12(16)14-6-2-3-7-14/h11H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione has a molecular weight of 238.33 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108941930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).