N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

C23H34N4O2 — CID 46324603

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCCCC3C)c2cc1C
InChIInChI=1S/C23H34N4O2/c1-16-14-20-21(15-17(16)2)27(23(29)19(4)25-20)13-9-22(28)24-10-7-12-26-11-6-5-8-18(26)3/h14-15,18H,5-13H2,1-4H3,(H,24,28)
InChIKeyKNMMZKWIFSNFST-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.09
Rot. Bonds7

About N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324603) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324603
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCCCC3C)c2cc1C
InChIInChI=1S/C23H34N4O2/c1-16-14-20-21(15-17(16)2)27(23(29)19(4)25-20)13-9-22(28)24-10-7-12-26-11-6-5-8-18(26)3/h14-15,18H,5-13H2,1-4H3,(H,24,28)
InChIKeyKNMMZKWIFSNFST-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide 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-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324614
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324607
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]propanamide
CID 9473857
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869945
N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50780952

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324603) is N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCCCC3C)c2cc1C.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is KNMMZKWIFSNFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16-14-20-21(15-17(16)2)27(23(29)19(4)25-20)13-9-22(28)24-10-7-12-26-11-6-5-8-18(26)3/h14-15,18H,5-13H2,1-4H3,(H,24,28).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).