4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

C23H31N3O3 — CID 10644510

IUPAC4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC1=C(CCCC(=O)NCCCN2CCN(C)CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H31N3O3/c1-17-18(23(29)20-8-4-3-7-19(20)22(17)28)9-5-10-21(27)24-11-6-12-26-15-13-25(2)14-16-26/h3-4,7-8H,5-6,9-16H2,1-2H3,(H,24,27)
InChIKeyXZMGYNOARMDSOY-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.31
Rot. Bonds8

About 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 10644510) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID10644510
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC1=C(CCCC(=O)NCCCN2CCN(C)CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H31N3O3/c1-17-18(23(29)20-8-4-3-7-19(20)22(17)28)9-5-10-21(27)24-11-6-12-26-15-13-25(2)14-16-26/h3-4,7-8H,5-6,9-16H2,1-2H3,(H,24,27)
InChIKeyXZMGYNOARMDSOY-UHFFFAOYSA-N
XLogP2.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide 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-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
2-((3-(4-Methyl-1-piperazinyl)propyl)amino)-1,4-naphthalenedione
CID 38058
N-isopropyl-N-[3-(methylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl]propanamide
CID 5165162
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-acetylbenzamide hydrochloride
CID 14096776
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 14783862
N-cyclohexyl-1-(2-methylbenzoyl)-4-piperidinecarboxamide
CID 801556
N-Cyclopentyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 1438298
N-[3-(diethylamino)propyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
CID 16001841
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 651523
4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2931509
6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-oxo-ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 9797512

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (CID 10644510) is 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is CC1=C(CCCC(=O)NCCCN2CCN(C)CC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is XZMGYNOARMDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-18(23(29)20-8-4-3-7-19(20)22(17)28)9-5-10-21(27)24-11-6-12-26-15-13-25(2)14-16-26/h3-4,7-8H,5-6,9-16H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 397.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 10644510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).