ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate

C22H28N2O3 — CID 25161930

IUPACethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)C1
InChIInChI=1S/C22H28N2O3/c1-3-27-22(26)16-5-4-10-24(13-16)21(25)15-7-9-20-18(12-15)17-11-14(2)6-8-19(17)23-20/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3
InChIKeyQNKQEPLAGJAFKE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.71
Rot. Bonds3

About ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 25161930) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID25161930
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)C1
InChIInChI=1S/C22H28N2O3/c1-3-27-22(26)16-5-4-10-24(13-16)21(25)15-7-9-20-18(12-15)17-11-14(2)6-8-19(17)23-20/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3
InChIKeyQNKQEPLAGJAFKE-UHFFFAOYSA-N
XLogP3.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate (CID 25161930) is ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)C1.
What is the InChIKey of ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is QNKQEPLAGJAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-27-22(26)16-5-4-10-24(13-16)21(25)15-7-9-20-18(12-15)17-11-14(2)6-8-19(17)23-20/h7,9,12,14,16,23H,3-6,8,10-11,13H2,1-2H3.
What are the key properties of ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 25161930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).