(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C15H28N2O — CID 106979589

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-12(3)6-5-7-13(17)4/h11-13,16H,5-10H2,1-4H3
InChIKeyZUNDQUUTGOGSQT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106979589) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106979589
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-12(3)6-5-7-13(17)4/h11-13,16H,5-10H2,1-4H3
InChIKeyZUNDQUUTGOGSQT-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106979589) is (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC1CCCC(C)N1C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is ZUNDQUUTGOGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-12(3)6-5-7-13(17)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).