N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium

C20H27N2O5Y — CID 142147320

IUPACN-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium
SMILESO=C1OC2(CCN(C(=O)NCC3CCCCC3)CC2)c2ccccc21.O=[Y]O
InChIInChI=1S/C20H26N2O3.H2O.O.Y/c23-18-16-8-4-5-9-17(16)20(25-18)10-12-22(13-11-20)19(24)21-14-15-6-2-1-3-7-15;;;/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24);1H2;;/q;;;+1/p-1
InChIKeyGFFZGQJFWAPXNK-UHFFFAOYSA-M
MW464.35 g/mol
LogP2.76
Rot. Bonds2

About N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium

N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium (PubChem CID 142147320) has the molecular formula C20H27N2O5Y and a molecular weight of 464.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium
PubChem CID142147320
Molecular FormulaC20H27N2O5Y
Molecular Weight464.35 g/mol
Exact Mass464.10
IUPAC NameN-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium
SMILESO=C1OC2(CCN(C(=O)NCC3CCCCC3)CC2)c2ccccc21.O=[Y]O
InChIInChI=1S/C20H26N2O3.H2O.O.Y/c23-18-16-8-4-5-9-17(16)20(25-18)10-12-22(13-11-20)19(24)21-14-15-6-2-1-3-7-15;;;/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24);1H2;;/q;;;+1/p-1
InChIKeyGFFZGQJFWAPXNK-UHFFFAOYSA-M
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 20587797
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 73168193
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
1'-[1-(4-chlorophenyl)cyclobutanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662217
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
N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
CID 90618714

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium?
The IUPAC name of N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium (CID 142147320) is N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium.
What is the SMILES notation for N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium?
The canonical SMILES for N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium is O=C1OC2(CCN(C(=O)NCC3CCCCC3)CC2)c2ccccc21.O=[Y]O.
What is the InChIKey of N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium?
The InChIKey is GFFZGQJFWAPXNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26N2O3.H2O.O.Y/c23-18-16-8-4-5-9-17(16)20(25-18)10-12-22(13-11-20)19(24)21-14-15-6-2-1-3-7-15;;;/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24);1H2;;/q;;;+1/p-1.
What are the key properties of N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium?
N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium has a molecular weight of 464.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium is sourced from PubChem (CID 142147320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).