1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C16H22N4O2 — CID 72924847

IUPAC1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccncc2)CC12CCNC(=O)CC2
InChIInChI=1S/C16H22N4O2/c1-19-10-11-20(15(22)13-3-7-17-8-4-13)12-16(19)5-2-14(21)18-9-6-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyOWVPSEJGXSTRJQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.51
Rot. Bonds1

About 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72924847) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72924847
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccncc2)CC12CCNC(=O)CC2
InChIInChI=1S/C16H22N4O2/c1-19-10-11-20(15(22)13-3-7-17-8-4-13)12-16(19)5-2-14(21)18-9-6-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyOWVPSEJGXSTRJQ-UHFFFAOYSA-N
XLogP0.51
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72873562
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677
(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97119506
(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203552
(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72897327
(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97208590
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72924847) is 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2ccncc2)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OWVPSEJGXSTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-10-11-20(15(22)13-3-7-17-8-4-13)12-16(19)5-2-14(21)18-9-6-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 302.38 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72924847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).