4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide

C20H30N4O4 — CID 149196943

IUPAC4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCN(C)c1ccc(OC)c2c1N=C(NC(=O)N1CCC(C)(O)CC1)C2
InChIInChI=1S/C20H30N4O4/c1-20(26)7-9-24(10-8-20)19(25)22-17-13-14-16(28-4)6-5-15(18(14)21-17)23(2)11-12-27-3/h5-6,26H,7-13H2,1-4H3,(H,21,22,25)
InChIKeyXDYAMEIWBXRENJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.92
Rot. Bonds5

About 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide

4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 149196943) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID149196943
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCN(C)c1ccc(OC)c2c1N=C(NC(=O)N1CCC(C)(O)CC1)C2
InChIInChI=1S/C20H30N4O4/c1-20(26)7-9-24(10-8-20)19(25)22-17-13-14-16(28-4)6-5-15(18(14)21-17)23(2)11-12-27-3/h5-6,26H,7-13H2,1-4H3,(H,21,22,25)
InChIKeyXDYAMEIWBXRENJ-UHFFFAOYSA-N
XLogP1.92
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide (CID 149196943) is 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide is COCCN(C)c1ccc(OC)c2c1N=C(NC(=O)N1CCC(C)(O)CC1)C2.
What is the InChIKey of 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is XDYAMEIWBXRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(26)7-9-24(10-8-20)19(25)22-17-13-14-16(28-4)6-5-15(18(14)21-17)23(2)11-12-27-3/h5-6,26H,7-13H2,1-4H3,(H,21,22,25).
What are the key properties of 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 149196943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).