N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

C24H28N4O4 — CID 46615398

IUPACN-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
SMILESO=C(CN1CC(C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H28N4O4/c29-22(26-24(31)25-15-18-9-3-1-4-10-18)17-28-16-21(23(30)27-13-7-2-8-14-27)32-20-12-6-5-11-19(20)28/h1,3-6,9-12,21H,2,7-8,13-17H2,(H2,25,26,29,31)
InChIKeyYSLOTYVONAYVIM-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.29
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (PubChem CID 46615398) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
PubChem CID46615398
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
SMILESO=C(CN1CC(C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H28N4O4/c29-22(26-24(31)25-15-18-9-3-1-4-10-18)17-28-16-21(23(30)27-13-7-2-8-14-27)32-20-12-6-5-11-19(20)28/h1,3-6,9-12,21H,2,7-8,13-17H2,(H2,25,26,29,31)
InChIKeyYSLOTYVONAYVIM-UHFFFAOYSA-N
XLogP2.29
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668656
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 40792743
N-naphthalen-1-yl-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 41189289
N-(2,6-diethylphenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668563
2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46615381
N-(2,3-dichlorophenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25360457
N-[3-(hydroxyamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994892
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25329496
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 51887165
2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41190138
N-[3-(methylamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994929
N-[1-(2-chlorophenyl)ethyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46647086

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (CID 46615398) is N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is O=C(CN1CC(C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is YSLOTYVONAYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(26-24(31)25-15-18-9-3-1-4-10-18)17-28-16-21(23(30)27-13-7-2-8-14-27)32-20-12-6-5-11-19(20)28/h1,3-6,9-12,21H,2,7-8,13-17H2,(H2,25,26,29,31).
What are the key properties of N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?
N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 46615398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).