5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one

C16H21N5O3 — CID 154567960

IUPAC5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(c1cc(C(=O)N3CCOCC3)ccn1)C2
InChIInChI=1S/C16H21N5O3/c1-19-15(23)18-9-16(19)10-21(11-16)13-8-12(2-3-17-13)14(22)20-4-6-24-7-5-20/h2-3,8H,4-7,9-11H2,1H3,(H,18,23)
InChIKeyCPUFHLOHSXADNY-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.23
Rot. Bonds2

About 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one

5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 154567960) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID154567960
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(c1cc(C(=O)N3CCOCC3)ccn1)C2
InChIInChI=1S/C16H21N5O3/c1-19-15(23)18-9-16(19)10-21(11-16)13-8-12(2-3-17-13)14(22)20-4-6-24-7-5-20/h2-3,8H,4-7,9-11H2,1H3,(H,18,23)
InChIKeyCPUFHLOHSXADNY-UHFFFAOYSA-N
XLogP-0.23
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one (CID 154567960) is 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(c1cc(C(=O)N3CCOCC3)ccn1)C2.
What is the InChIKey of 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is CPUFHLOHSXADNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-19-15(23)18-9-16(19)10-21(11-16)13-8-12(2-3-17-13)14(22)20-4-6-24-7-5-20/h2-3,8H,4-7,9-11H2,1H3,(H,18,23).
What are the key properties of 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one?
5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 331.38 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 154567960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).