4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide

C20H28N4O4 — CID 161182428

IUPAC4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2
InChIInChI=1S/C20H28N4O4/c1-20(26)5-7-24(8-6-20)19(25)22-17-13-14-16(27-2)4-3-15(18(14)21-17)23-9-11-28-12-10-23/h3-4,26H,5-13H2,1-2H3,(H,21,22,25)
InChIKeyUSQJNHYLYCLSMZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.67
Rot. Bonds2

About 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide

4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 161182428) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID161182428
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2
InChIInChI=1S/C20H28N4O4/c1-20(26)5-7-24(8-6-20)19(25)22-17-13-14-16(27-2)4-3-15(18(14)21-17)23-9-11-28-12-10-23/h3-4,26H,5-13H2,1-2H3,(H,21,22,25)
InChIKeyUSQJNHYLYCLSMZ-UHFFFAOYSA-N
XLogP1.67
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.67
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-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide (CID 161182428) is 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is USQJNHYLYCLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-20(26)5-7-24(8-6-20)19(25)22-17-13-14-16(27-2)4-3-15(18(14)21-17)23-9-11-28-12-10-23/h3-4,26H,5-13H2,1-2H3,(H,21,22,25).
What are the key properties of 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.67, 2 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-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 161182428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).