2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide

C23H31N4O2+ — CID 9254579

IUPAC2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-17(2)16-21(25-22(28)20-7-5-4-6-18(20)3)23(29)27-14-12-26(13-15-27)19-8-10-24-11-9-19/h4-11,17,21H,12-16H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1
InChIKeyTVLFZJGTVMYSPN-OAQYLSRUSA-O
MW395.53 g/mol
LogP2.30
Rot. Bonds6

About 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide

2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide (PubChem CID 9254579) has the molecular formula C23H31N4O2+ and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
PubChem CID9254579
Molecular FormulaC23H31N4O2+
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC Name2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-17(2)16-21(25-22(28)20-7-5-4-6-18(20)3)23(29)27-14-12-26(13-15-27)19-8-10-24-11-9-19/h4-11,17,21H,12-16H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1
InChIKeyTVLFZJGTVMYSPN-OAQYLSRUSA-O
XLogP2.30
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-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

Related Compounds

N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
4-chloro-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254267
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide
CID 31939528
2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
CID 46461356
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379
2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide
CID 43054523
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 120807781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide (CID 9254579) is 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1.
What is the InChIKey of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide?
The InChIKey is TVLFZJGTVMYSPN-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H30N4O2/c1-17(2)16-21(25-22(28)20-7-5-4-6-18(20)3)23(29)27-14-12-26(13-15-27)19-8-10-24-11-9-19/h4-11,17,21H,12-16H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide?
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide has a molecular weight of 395.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide is sourced from PubChem (CID 9254579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).