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

C15H26N2O2 — CID 7026516

IUPAC3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-12(2)10-14(18)17-9-5-6-13(11-17)15(19)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyJBBKKBMLVKRTRC-CYBMUJFWSA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds3

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

3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 7026516) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID7026516
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-12(2)10-14(18)17-9-5-6-13(11-17)15(19)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyJBBKKBMLVKRTRC-CYBMUJFWSA-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 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 7026516) is 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is JBBKKBMLVKRTRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)10-14(18)17-9-5-6-13(11-17)15(19)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
3-methyl-1-[(3R)-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 3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 7026516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).