N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C26H24N2O3 — CID 73168193

IUPACN-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-24-21-13-7-8-14-22(21)26(31-24)15-17-28(18-16-26)25(30)27-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,27,30)
InChIKeyNYPFCXAKNHFWQB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.65
Rot. Bonds3

About N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 73168193) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID73168193
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-24-21-13-7-8-14-22(21)26(31-24)15-17-28(18-16-26)25(30)27-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,27,30)
InChIKeyNYPFCXAKNHFWQB-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium
CID 142147320
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618206
(4aS,8aS)-N-benzhydryl-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 119073709
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
ethyl 4-[[(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 20587797
2,6-difluoro-N-[3-oxo-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)propyl]benzenesulfonamide
CID 90618159

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 73168193) is N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is NYPFCXAKNHFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-24-21-13-7-8-14-22(21)26(31-24)15-17-28(18-16-26)25(30)27-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,27,30).
What are the key properties of N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 73168193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).