ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

C19H24N2O3 — CID 2813269

IUPACethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3
InChIKeyZXSVYMSVMLCEFL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.20
Rot. Bonds3

About ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 2813269) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
PubChem CID2813269
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3
InChIKeyZXSVYMSVMLCEFL-UHFFFAOYSA-N
XLogP3.20
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (CID 2813269) is ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZXSVYMSVMLCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2813269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).