2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one

C15H27N3O — CID 83244839

IUPAC2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C15H27N3O/c1-13-16-15(7-3-4-8-15)14(19)18(13)12-11-17-9-5-2-6-10-17/h13,16H,2-12H2,1H3
InChIKeyQCVDSJKEFWCMQN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds3

About 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one

2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83244839) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83244839
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C15H27N3O/c1-13-16-15(7-3-4-8-15)14(19)18(13)12-11-17-9-5-2-6-10-17/h13,16H,2-12H2,1H3
InChIKeyQCVDSJKEFWCMQN-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83244839) is 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one is CC1NC2(CCCC2)C(=O)N1CCN1CCCCC1.
What is the InChIKey of 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QCVDSJKEFWCMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-16-15(7-3-4-8-15)14(19)18(13)12-11-17-9-5-2-6-10-17/h13,16H,2-12H2,1H3.
What are the key properties of 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 265.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83244839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).