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

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Related Compounds

N-[1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]acetamide
CID 162888505
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
CID 163001792
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 86770821
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798594
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 46576773

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).