N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C25H28N4O4 — CID 167832172

IUPACN-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(=O)N1CCc2c(NC(=O)N3CC(C(=O)N4CCCCC4)Oc4ccccc43)cccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)28-15-12-18-19(8-7-10-20(18)28)26-25(32)29-16-23(24(31)27-13-5-2-6-14-27)33-22-11-4-3-9-21(22)29/h3-4,7-11,23H,2,5-6,12-16H2,1H3,(H,26,32)
InChIKeyAUSLJOHZALZAFY-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.41
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 167832172) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID167832172
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(=O)N1CCc2c(NC(=O)N3CC(C(=O)N4CCCCC4)Oc4ccccc43)cccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)28-15-12-18-19(8-7-10-20(18)28)26-25(32)29-16-23(24(31)27-13-5-2-6-14-27)33-22-11-4-3-9-21(22)29/h3-4,7-11,23H,2,5-6,12-16H2,1H3,(H,26,32)
InChIKeyAUSLJOHZALZAFY-UHFFFAOYSA-N
XLogP3.41
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
N-naphthalen-1-yl-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 41189289
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
CID 43037962
N-(2,3-dichlorophenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25360457
[(2S)-4-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944834
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
N-(2,6-diethylphenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668563
2-chloro-2-fluoro-1-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 166430950
[(2R)-4-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944843
[(2R)-4-(4-butoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944847

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 167832172) is N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC(=O)N1CCc2c(NC(=O)N3CC(C(=O)N4CCCCC4)Oc4ccccc43)cccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is AUSLJOHZALZAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(30)28-15-12-18-19(8-7-10-20(18)28)26-25(32)29-16-23(24(31)27-13-5-2-6-14-27)33-22-11-4-3-9-21(22)29/h3-4,7-11,23H,2,5-6,12-16H2,1H3,(H,26,32).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 167832172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).