2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C22H31N3O4 — CID 16659778

IUPAC2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCOc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCCC2)CC1
InChIInChI=1S/C22H31N3O4/c1-24(14-15-25-12-4-3-5-13-25)20(26)16-8-10-22(11-9-16)17-6-7-18(28-2)23-19(17)21(27)29-22/h6-7,16H,3-5,8-15H2,1-2H3
InChIKeyQTAKNJDNFNDYPP-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.59
Rot. Bonds5

About 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 16659778) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound Name2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID16659778
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCOc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCCC2)CC1
InChIInChI=1S/C22H31N3O4/c1-24(14-15-25-12-4-3-5-13-25)20(26)16-8-10-22(11-9-16)17-6-7-18(28-2)23-19(17)21(27)29-22/h6-7,16H,3-5,8-15H2,1-2H3
InChIKeyQTAKNJDNFNDYPP-UHFFFAOYSA-N
XLogP2.59
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 16659778) is 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is COc1ccc2c(n1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCCC2)CC1.
What is the InChIKey of 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is QTAKNJDNFNDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-24(14-15-25-12-4-3-5-13-25)20(26)16-8-10-22(11-9-16)17-6-7-18(28-2)23-19(17)21(27)29-22/h6-7,16H,3-5,8-15H2,1-2H3.
What are the key properties of 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 16659778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).