9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid

C28H38N4O4 — CID 163326617

IUPAC9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
SMILESCCN1CCN(C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C26H36N4.C2H2O4/c1-3-27-15-17-29(18-16-27)22-11-13-28(14-12-22)20-21-9-10-26-24(19-21)23-7-5-6-8-25(23)30(26)4-2;3-1(4)2(5)6/h5-10,19,22H,3-4,11-18,20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYHPKJULCBBNSKK-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.57
Rot. Bonds5

About 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid

9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid (PubChem CID 163326617) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid.

Molecular Properties

Compound Name9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
PubChem CID163326617
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
SMILESCCN1CCN(C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C26H36N4.C2H2O4/c1-3-27-15-17-29(18-16-27)22-11-13-28(14-12-22)20-21-9-10-26-24(19-21)23-7-5-6-8-25(23)30(26)4-2;3-1(4)2(5)6/h5-10,19,22H,3-4,11-18,20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYHPKJULCBBNSKK-UHFFFAOYSA-N
XLogP3.57
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid 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

9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole;oxalic acid
CID 2874389
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
CID 72548879
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
9-ethyl-3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]carbazole;oxalic acid
CID 90483306
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid?
The IUPAC name of 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid (CID 163326617) is 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid.
What is the SMILES notation for 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid?
The canonical SMILES for 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid is CCN1CCN(C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid?
The InChIKey is YHPKJULCBBNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4.C2H2O4/c1-3-27-15-17-29(18-16-27)22-11-13-28(14-12-22)20-21-9-10-26-24(19-21)23-7-5-6-8-25(23)30(26)4-2;3-1(4)2(5)6/h5-10,19,22H,3-4,11-18,20H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid?
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid has a molecular weight of 494.64 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid is sourced from PubChem (CID 163326617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).