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

C22H32N4O3 — CID 100618985

IUPACN-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C22H32N4O3/c1-24-11-13-26(14-12-24)22(29)18-9-6-10-19(16-25(2)20(27)15-18)23-21(28)17-7-4-3-5-8-17/h3-5,7-8,18-19H,6,9-16H2,1-2H3,(H,23,28)/t18-,19-/m1/s1
InChIKeyHXXXBVGCMUZNLV-RTBURBONSA-N
MW400.52 g/mol
LogP1.21
Rot. Bonds3

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

N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide (PubChem CID 100618985) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
PubChem CID100618985
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C22H32N4O3/c1-24-11-13-26(14-12-24)22(29)18-9-6-10-19(16-25(2)20(27)15-18)23-21(28)17-7-4-3-5-8-17/h3-5,7-8,18-19H,6,9-16H2,1-2H3,(H,23,28)/t18-,19-/m1/s1
InChIKeyHXXXBVGCMUZNLV-RTBURBONSA-N
XLogP1.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide 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 N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide?
The IUPAC name of N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide (CID 100618985) is N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide.
What is the SMILES notation for N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide?
The canonical SMILES for N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide is CN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)CN(C)C(=O)C2)CC1.
What is the InChIKey of N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide?
The InChIKey is HXXXBVGCMUZNLV-RTBURBONSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-24-11-13-26(14-12-24)22(29)18-9-6-10-19(16-25(2)20(27)15-18)23-21(28)17-7-4-3-5-8-17/h3-5,7-8,18-19H,6,9-16H2,1-2H3,(H,23,28)/t18-,19-/m1/s1.
What are the key properties of N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide?
N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide is sourced from PubChem (CID 100618985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).