ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate

C19H25N3O3 — CID 68680571

IUPACethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc2[nH]1
InChIInChI=1S/C19H25N3O3/c1-4-25-19(24)17-11-14-10-13(7-8-16(14)20-17)18(23)22-9-5-6-15(12-22)21(2)3/h7-8,10-11,15,20H,4-6,9,12H2,1-3H3
InChIKeyWLRBJDQOZXMPJC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds4

About ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate

ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate (PubChem CID 68680571) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
PubChem CID68680571
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc2[nH]1
InChIInChI=1S/C19H25N3O3/c1-4-25-19(24)17-11-14-10-13(7-8-16(14)20-17)18(23)22-9-5-6-15(12-22)21(2)3/h7-8,10-11,15,20H,4-6,9,12H2,1-3H3
InChIKeyWLRBJDQOZXMPJC-UHFFFAOYSA-N
XLogP2.51
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-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 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate (CID 68680571) is ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate?
The InChIKey is WLRBJDQOZXMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-25-19(24)17-11-14-10-13(7-8-16(14)20-17)18(23)22-9-5-6-15(12-22)21(2)3/h7-8,10-11,15,20H,4-6,9,12H2,1-3H3.
What are the key properties of ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate?
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 68680571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).