(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone

C13H24N2O — CID 79383471

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C13H24N2O/c1-9-6-10(2)8-15(7-9)13(16)12-4-5-14-11(12)3/h9-12,14H,4-8H2,1-3H3
InChIKeyFLETVLPMVLZZSL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 79383471) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID79383471
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C13H24N2O/c1-9-6-10(2)8-15(7-9)13(16)12-4-5-14-11(12)3/h9-12,14H,4-8H2,1-3H3
InChIKeyFLETVLPMVLZZSL-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 79383471) is (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is CC1CC(C)CN(C(=O)C2CCNC2C)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is FLETVLPMVLZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-6-10(2)8-15(7-9)13(16)12-4-5-14-11(12)3/h9-12,14H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79383471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).