N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide

C17H30N4O3 — CID 162888505

IUPACN-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
SMILESCC(=O)NC1CCCC(C(=O)N2CCN(C)CC2)CC(=O)N(C)C1
InChIInChI=1S/C17H30N4O3/c1-13(22)18-15-6-4-5-14(11-16(23)20(3)12-15)17(24)21-9-7-19(2)8-10-21/h14-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyKJSUPATVGPSLPQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.09
Rot. Bonds2

About N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide

N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide (PubChem CID 162888505) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
PubChem CID162888505
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
SMILESCC(=O)NC1CCCC(C(=O)N2CCN(C)CC2)CC(=O)N(C)C1
InChIInChI=1S/C17H30N4O3/c1-13(22)18-15-6-4-5-14(11-16(23)20(3)12-15)17(24)21-9-7-19(2)8-10-21/h14-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyKJSUPATVGPSLPQ-UHFFFAOYSA-N
XLogP-0.09
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
CID 100618985
8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 162846292
1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
CID 163001792
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
tert-butyl N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide?
The IUPAC name of N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide (CID 162888505) is N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide.
What is the SMILES notation for N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide?
The canonical SMILES for N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide is CC(=O)NC1CCCC(C(=O)N2CCN(C)CC2)CC(=O)N(C)C1.
What is the InChIKey of N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide?
The InChIKey is KJSUPATVGPSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-13(22)18-15-6-4-5-14(11-16(23)20(3)12-15)17(24)21-9-7-19(2)8-10-21/h14-15H,4-12H2,1-3H3,(H,18,22).
What are the key properties of N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide?
N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide is sourced from PubChem (CID 162888505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).