propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C21H29N3O4 — CID 59258498

IUPACpropyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)OC(=O)Nc2ccccc23)CC1
InChIInChI=1S/C21H29N3O4/c1-2-15-27-20(26)24-11-7-16(8-12-24)23-13-9-21(10-14-23)17-5-3-4-6-18(17)22-19(25)28-21/h3-6,16H,2,7-15H2,1H3,(H,22,25)
InChIKeyYNYZIWOBERKSHX-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.55
Rot. Bonds3

About propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate

propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 59258498) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID59258498
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Namepropyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)OC(=O)Nc2ccccc23)CC1
InChIInChI=1S/C21H29N3O4/c1-2-15-27-20(26)24-11-7-16(8-12-24)23-13-9-21(10-14-23)17-5-3-4-6-18(17)22-19(25)28-21/h3-6,16H,2,7-15H2,1H3,(H,22,25)
InChIKeyYNYZIWOBERKSHX-UHFFFAOYSA-N
XLogP3.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate 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

molecular hydrogen;prop-2-ynyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 160743049
4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid
CID 68577908
benzyl 2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134794145
[3-(3,7-dimethyl-1,2-dihydrobenzotriazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
CID 143117182
1'-cycloheptyl-1-(2-methoxyethyl)spiro[3,1-benzoxazine-4,4'-piperidine]-2-one;1'-(1,4-dioxaspiro[4.5]decan-8-yl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-(2-methylcyclohexyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;prop-2-ynyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 158976624
butyl 1'-(1-ethoxycarbonylpiperidin-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11993100
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
[3-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
CID 157491919
1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 21303276
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 59258498) is propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC3(CC2)OC(=O)Nc2ccccc23)CC1.
What is the InChIKey of propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is YNYZIWOBERKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-15-27-20(26)24-11-7-16(8-12-24)23-13-9-21(10-14-23)17-5-3-4-6-18(17)22-19(25)28-21/h3-6,16H,2,7-15H2,1H3,(H,22,25).
What are the key properties of propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).