1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C19H24N2O3 — CID 90618206

IUPAC1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-20-10-6-14(7-11-20)17(22)21-12-8-19(9-13-21)16-5-3-2-4-15(16)18(23)24-19/h2-5,14H,6-13H2,1H3
InChIKeyXKILJAVUVRYGRT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.02
Rot. Bonds1

About 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618206) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618206
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-20-10-6-14(7-11-20)17(22)21-12-8-19(9-13-21)16-5-3-2-4-15(16)18(23)24-19/h2-5,14H,6-13H2,1H3
InChIKeyXKILJAVUVRYGRT-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one 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-(cyclohexylmethyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide;hydroxy(oxo)yttrium
CID 142147320
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 73168193
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618525
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
CID 134788094
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-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
CID 70879145

Frequently Asked Questions

What is the IUPAC name of 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618206) is 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is CN1CCC(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)CC1.
What is the InChIKey of 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is XKILJAVUVRYGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-10-6-14(7-11-20)17(22)21-12-8-19(9-13-21)16-5-3-2-4-15(16)18(23)24-19/h2-5,14H,6-13H2,1H3.
What are the key properties of 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).