N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide

C21H26N4O3 — CID 166887026

IUPACN,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)[nH]c32)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-14-12-15(20(26)22-2)6-7-17(14)25-10-11-28-18-13-16(23-19(18)25)21(27)24-8-4-3-5-9-24/h6-7,12-13,23H,3-5,8-11H2,1-2H3,(H,22,26)
InChIKeyQGCVENFIXVKLCK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.84
Rot. Bonds3

About N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide

N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide (PubChem CID 166887026) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide
PubChem CID166887026
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)[nH]c32)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-14-12-15(20(26)22-2)6-7-17(14)25-10-11-28-18-13-16(23-19(18)25)21(27)24-8-4-3-5-9-24/h6-7,12-13,23H,3-5,8-11H2,1-2H3,(H,22,26)
InChIKeyQGCVENFIXVKLCK-UHFFFAOYSA-N
XLogP2.84
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoic acid
CID 154994272
tert-butyl 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoate
CID 154994362
[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994314
2-iodo-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 154994306
4-[7-(4-fluoropiperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylbenzamide
CID 176661485
2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
CID 154994710
ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate
CID 166886924
[3-(azet-2-yl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154995158
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
(2Z)-2-(methylhydrazinylidene)-4-[6-(1-oxa-8-azaspiro[3.5]nonane-8-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995070
methyl 3-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]benzoate
CID 154994557
3-methyl-N-[4-(methylcarbamoyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60566894

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide?
The IUPAC name of N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide (CID 166887026) is N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide.
What is the SMILES notation for N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide?
The canonical SMILES for N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide is CNC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)[nH]c32)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide?
The InChIKey is QGCVENFIXVKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-12-15(20(26)22-2)6-7-17(14)25-10-11-28-18-13-16(23-19(18)25)21(27)24-8-4-3-5-9-24/h6-7,12-13,23H,3-5,8-11H2,1-2H3,(H,22,26).
What are the key properties of N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide?
N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide is sourced from PubChem (CID 166887026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).