N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H30N4O3 — CID 71715466

IUPACN-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H30N4O3/c28-21(16-26-8-2-1-3-9-26)27-10-5-23(6-11-27)13-18(23)14-25-22(29)19-12-17-4-7-24-15-20(17)30-19/h4,7,12,15,18H,1-3,5-6,8-11,13-14,16H2,(H,25,29)
InChIKeyQUXDNISNZYRVTD-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.67
Rot. Bonds5

About N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715466) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715466
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H30N4O3/c28-21(16-26-8-2-1-3-9-26)27-10-5-23(6-11-27)13-18(23)14-25-22(29)19-12-17-4-7-24-15-20(17)30-19/h4,7,12,15,18H,1-3,5-6,8-11,13-14,16H2,(H,25,29)
InChIKeyQUXDNISNZYRVTD-UHFFFAOYSA-N
XLogP2.67
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715466) is N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CN1CCCCC1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QUXDNISNZYRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-21(16-26-8-2-1-3-9-26)27-10-5-23(6-11-27)13-18(23)14-25-22(29)19-12-17-4-7-24-15-20(17)30-19/h4,7,12,15,18H,1-3,5-6,8-11,13-14,16H2,(H,25,29).
What are the key properties of N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-piperidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).