2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

C15H26N2O2 — CID 177171076

IUPAC2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-12(2)14(18)17-10-6-7-13(11-17)15(19)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyGDFATRYTKNFSBK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 177171076) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID177171076
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-12(2)14(18)17-10-6-7-13(11-17)15(19)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyGDFATRYTKNFSBK-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 177171076) is 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCCC2)C1.
What is the InChIKey of 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is GDFATRYTKNFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-12(2)14(18)17-10-6-7-13(11-17)15(19)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 177171076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).