N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C22H30N4O4 — CID 161029359

IUPACN-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC3(CCOCC3)C1)=N2
InChIInChI=1S/C22H30N4O4/c1-28-18-3-2-17(25-8-12-30-13-9-25)20-16(18)14-19(23-20)24-21(27)26-7-4-22(15-26)5-10-29-11-6-22/h2-3H,4-15H2,1H3,(H,23,24,27)
InChIKeyTZJZKLQQZURJQL-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.33
Rot. Bonds2

About N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 161029359) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID161029359
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC3(CCOCC3)C1)=N2
InChIInChI=1S/C22H30N4O4/c1-28-18-3-2-17(25-8-12-30-13-9-25)20-16(18)14-19(23-20)24-21(27)26-7-4-22(15-26)5-10-29-11-6-22/h2-3H,4-15H2,1H3,(H,23,24,27)
InChIKeyTZJZKLQQZURJQL-UHFFFAOYSA-N
XLogP2.33
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 161029359) is N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC3(CCOCC3)C1)=N2.
What is the InChIKey of N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is TZJZKLQQZURJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-28-18-3-2-17(25-8-12-30-13-9-25)20-16(18)14-19(23-20)24-21(27)26-7-4-22(15-26)5-10-29-11-6-22/h2-3H,4-15H2,1H3,(H,23,24,27).
What are the key properties of N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 161029359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).