ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate

C24H31N3O2 — CID 57402501

IUPACethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C24H31N3O2/c1-4-29-24(28)19-10-11-23-21(14-19)20-8-5-6-9-22(20)27(23)13-7-12-26-15-17(2)25-18(3)16-26/h5-6,8-11,14,17-18,25H,4,7,12-13,15-16H2,1-3H3/t17-,18+
InChIKeyOLMQTOGVUOQEDF-HDICACEKSA-N
MW393.53 g/mol
LogP4.04
Rot. Bonds6

About ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate

ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate (PubChem CID 57402501) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate
PubChem CID57402501
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Nameethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C24H31N3O2/c1-4-29-24(28)19-10-11-23-21(14-19)20-8-5-6-9-22(20)27(23)13-7-12-26-15-17(2)25-18(3)16-26/h5-6,8-11,14,17-18,25H,4,7,12-13,15-16H2,1-3H3/t17-,18+
InChIKeyOLMQTOGVUOQEDF-HDICACEKSA-N
XLogP4.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate?
The IUPAC name of ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate (CID 57402501) is ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate.
What is the SMILES notation for ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate?
The canonical SMILES for ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate is CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate?
The InChIKey is OLMQTOGVUOQEDF-HDICACEKSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-29-24(28)19-10-11-23-21(14-19)20-8-5-6-9-22(20)27(23)13-7-12-26-15-17(2)25-18(3)16-26/h5-6,8-11,14,17-18,25H,4,7,12-13,15-16H2,1-3H3/t17-,18+.
What are the key properties of ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate?
ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate has a molecular weight of 393.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-3-carboxylate is sourced from PubChem (CID 57402501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).