N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C23H36N4O3 — CID 30688869

IUPACN-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C23H36N4O3/c1-6-26(7-2)20(28)16-25-12-14-27(15-13-25)23(30)21(17(3)4)24-22(29)19-10-8-18(5)9-11-19/h8-11,17,21H,6-7,12-16H2,1-5H3,(H,24,29)/t21-/m1/s1
InChIKeyIZDDAHUPUSSNNS-OAQYLSRUSA-N
MW416.57 g/mol
LogP1.76
Rot. Bonds8

About N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 30688869) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID30688869
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C23H36N4O3/c1-6-26(7-2)20(28)16-25-12-14-27(15-13-25)23(30)21(17(3)4)24-22(29)19-10-8-18(5)9-11-19/h8-11,17,21H,6-7,12-16H2,1-5H3,(H,24,29)/t21-/m1/s1
InChIKeyIZDDAHUPUSSNNS-OAQYLSRUSA-N
XLogP1.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide 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

4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55551043
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119645429
ethyl 4-[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate
CID 40742327
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942986
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
4-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 112799549
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119636248
4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
CID 119239108
3-methyl-N-[3-methyl-1-oxo-1-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide
CID 55451749

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 30688869) is N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is CCN(CC)C(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1.
What is the InChIKey of N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is IZDDAHUPUSSNNS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-6-26(7-2)20(28)16-25-12-14-27(15-13-25)23(30)21(17(3)4)24-22(29)19-10-8-18(5)9-11-19/h8-11,17,21H,6-7,12-16H2,1-5H3,(H,24,29)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 416.57 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 30688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).