1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H26N4O2 — CID 72923202

IUPAC1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCc2ccccn2)CC12CCNC(=O)CC2
InChIInChI=1S/C18H26N4O2/c1-21-12-13-22(14-18(21)8-7-16(23)20-11-9-18)17(24)6-5-15-4-2-3-10-19-15/h2-4,10H,5-9,11-14H2,1H3,(H,20,23)
InChIKeySLLIOZAUOLEJRD-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.83
Rot. Bonds3

About 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72923202) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72923202
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCc2ccccn2)CC12CCNC(=O)CC2
InChIInChI=1S/C18H26N4O2/c1-21-12-13-22(14-18(21)8-7-16(23)20-11-9-18)17(24)6-5-15-4-2-3-10-19-15/h2-4,10H,5-9,11-14H2,1H3,(H,20,23)
InChIKeySLLIOZAUOLEJRD-UHFFFAOYSA-N
XLogP0.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72888404
(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132445
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789035
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-cyclopentyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 72870632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72923202) is 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)CCc2ccccn2)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is SLLIOZAUOLEJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-12-13-22(14-18(21)8-7-16(23)20-11-9-18)17(24)6-5-15-4-2-3-10-19-15/h2-4,10H,5-9,11-14H2,1H3,(H,20,23).
What are the key properties of 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 330.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72923202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).