9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid

C32H33N3O4 — CID 17366921

IUPAC9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5ccccc5c4)CC3)ccc21.O=C(O)C(=O)O
InChIInChI=1S/C30H31N3.C2H2O4/c1-2-33-29-10-6-5-9-27(29)28-20-24(12-14-30(28)33)22-32-17-15-31(16-18-32)21-23-11-13-25-7-3-4-8-26(25)19-23;3-1(4)2(5)6/h3-14,19-20H,2,15-18,21-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyWMBSOJVRTGWZSK-UHFFFAOYSA-N
MW523.63 g/mol
LogP5.44
Rot. Bonds5

About 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid

9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid (PubChem CID 17366921) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid.

Molecular Properties

Compound Name9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
PubChem CID17366921
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC Name9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5ccccc5c4)CC3)ccc21.O=C(O)C(=O)O
InChIInChI=1S/C30H31N3.C2H2O4/c1-2-33-29-10-6-5-9-27(29)28-20-24(12-14-30(28)33)22-32-17-15-31(16-18-32)21-23-11-13-25-7-3-4-8-26(25)19-23;3-1(4)2(5)6/h3-14,19-20H,2,15-18,21-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyWMBSOJVRTGWZSK-UHFFFAOYSA-N
XLogP5.44
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
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
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
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
CID 59506617
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid?
The IUPAC name of 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid (CID 17366921) is 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid.
What is the SMILES notation for 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid?
The canonical SMILES for 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid is CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5ccccc5c4)CC3)ccc21.O=C(O)C(=O)O.
What is the InChIKey of 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid?
The InChIKey is WMBSOJVRTGWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3.C2H2O4/c1-2-33-29-10-6-5-9-27(29)28-20-24(12-14-30(28)33)22-32-17-15-31(16-18-32)21-23-11-13-25-7-3-4-8-26(25)19-23;3-1(4)2(5)6/h3-14,19-20H,2,15-18,21-22H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid?
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid has a molecular weight of 523.63 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid is sourced from PubChem (CID 17366921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).