1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one

C17H31N3O — CID 64656507

IUPAC1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H31N3O/c1-12(2)20-9-13-5-4-6-14(10-20)17(13)18-15-7-8-16(21)19(3)11-15/h12-15,17-18H,4-11H2,1-3H3
InChIKeyPWGDYLLRNZRVQG-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds3

About 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one

1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one (PubChem CID 64656507) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
PubChem CID64656507
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H31N3O/c1-12(2)20-9-13-5-4-6-14(10-20)17(13)18-15-7-8-16(21)19(3)11-15/h12-15,17-18H,4-11H2,1-3H3
InChIKeyPWGDYLLRNZRVQG-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one (CID 64656507) is 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one is CC(C)N1CC2CCCC(C1)C2NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one?
The InChIKey is PWGDYLLRNZRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)20-9-13-5-4-6-14(10-20)17(13)18-15-7-8-16(21)19(3)11-15/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one?
1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one is sourced from PubChem (CID 64656507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).