N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C24H22N4O4 — CID 44583437

IUPACN-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1
InChIInChI=1S/C24H22N4O4/c1-31-18-8-6-16(7-9-18)17-14-25-22(26-15-17)27-23(30)28-12-10-24(11-13-28)20-5-3-2-4-19(20)21(29)32-24/h2-9,14-15H,10-13H2,1H3,(H,25,26,27,30)
InChIKeyCXCKAZAAWPEIAW-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.85
Rot. Bonds3

About N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 44583437) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID44583437
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1
InChIInChI=1S/C24H22N4O4/c1-31-18-8-6-16(7-9-18)17-14-25-22(26-15-17)27-23(30)28-12-10-24(11-13-28)20-5-3-2-4-19(20)21(29)32-24/h2-9,14-15H,10-13H2,1H3,(H,25,26,27,30)
InChIKeyCXCKAZAAWPEIAW-UHFFFAOYSA-N
XLogP3.85
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 44583437) is N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is CXCKAZAAWPEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-18-8-6-16(7-9-18)17-14-25-22(26-15-17)27-23(30)28-12-10-24(11-13-28)20-5-3-2-4-19(20)21(29)32-24/h2-9,14-15H,10-13H2,1H3,(H,25,26,27,30).
What are the key properties of N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).