N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide

C26H32N4O4 — CID 58199048

IUPACN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H32N4O4/c31-25(19-6-9-27-24(17-19)30-12-14-32-15-13-30)28-21-4-5-23-20(16-21)18-33-26(34-23)7-10-29(11-8-26)22-2-1-3-22/h4-6,9,16-17,22H,1-3,7-8,10-15,18H2,(H,28,31)
InChIKeyLKEKHBJDIKDDOJ-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.42
Rot. Bonds4

About N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide

N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 58199048) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID58199048
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H32N4O4/c31-25(19-6-9-27-24(17-19)30-12-14-32-15-13-30)28-21-4-5-23-20(16-21)18-33-26(34-23)7-10-29(11-8-26)22-2-1-3-22/h4-6,9,16-17,22H,1-3,7-8,10-15,18H2,(H,28,31)
InChIKeyLKEKHBJDIKDDOJ-UHFFFAOYSA-N
XLogP3.42
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide (CID 58199048) is N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide is O=C(Nc1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is LKEKHBJDIKDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-25(19-6-9-27-24(17-19)30-12-14-32-15-13-30)28-21-4-5-23-20(16-21)18-33-26(34-23)7-10-29(11-8-26)22-2-1-3-22/h4-6,9,16-17,22H,1-3,7-8,10-15,18H2,(H,28,31).
What are the key properties of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide?
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 58199048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).