N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide

C17H22N4O4 — CID 146139547

IUPACN-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC2(CC1)CNC(=O)c1ccccc1O2
InChIInChI=1S/C17H22N4O4/c1-18-16(24)20-14(22)10-21-8-6-17(7-9-21)11-19-15(23)12-4-2-3-5-13(12)25-17/h2-5H,6-11H2,1H3,(H,19,23)(H2,18,20,22,24)
InChIKeyZYNFHHWYQMIXLF-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.10
Rot. Bonds2

About N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide

N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide (PubChem CID 146139547) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide
PubChem CID146139547
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC2(CC1)CNC(=O)c1ccccc1O2
InChIInChI=1S/C17H22N4O4/c1-18-16(24)20-14(22)10-21-8-6-17(7-9-21)11-19-15(23)12-4-2-3-5-13(12)25-17/h2-5H,6-11H2,1H3,(H,19,23)(H2,18,20,22,24)
InChIKeyZYNFHHWYQMIXLF-UHFFFAOYSA-N
XLogP0.10
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1'-ethylsulfonylspiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 92587685
1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 134788591
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
1'-(1,2-oxazol-5-ylmethyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 154770470
(2S)-1'-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione
CID 92591724
(2R)-1'-acetylspiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 92549161
2-[(2S)-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-1'-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95796959
1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 110233864
2-(2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110213039
1'-[2-(2-chloro-4-fluorophenyl)acetyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 46962480
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
1'-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione
CID 110213026

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide (CID 146139547) is N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide is CNC(=O)NC(=O)CN1CCC2(CC1)CNC(=O)c1ccccc1O2.
What is the InChIKey of N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide?
The InChIKey is ZYNFHHWYQMIXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-18-16(24)20-14(22)10-21-8-6-17(7-9-21)11-19-15(23)12-4-2-3-5-13(12)25-17/h2-5H,6-11H2,1H3,(H,19,23)(H2,18,20,22,24).
What are the key properties of N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide?
N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide is sourced from PubChem (CID 146139547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).