1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one

C20H34N6O2 — CID 163001792

IUPAC1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
SMILESCN1CCN(C(=O)C2CCCC(NCc3cnn(C)c3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3
InChIKeyJIYPGVQIZSHZSQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.30
Rot. Bonds4

About 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one

1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one (PubChem CID 163001792) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
PubChem CID163001792
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
SMILESCN1CCN(C(=O)C2CCCC(NCc3cnn(C)c3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3
InChIKeyJIYPGVQIZSHZSQ-UHFFFAOYSA-N
XLogP0.30
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one with MolForge

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Related Compounds

N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
CID 162888505
N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
CID 100618985
N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
CID 162798076
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 162873431
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411811
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The IUPAC name of 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one (CID 163001792) is 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The canonical SMILES for 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one is CN1CCN(C(=O)C2CCCC(NCc3cnn(C)c3)CN(C)C(=O)C2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The InChIKey is JIYPGVQIZSHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one has a molecular weight of 390.53 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one is sourced from PubChem (CID 163001792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).