(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C15H29N3O — CID 129446177

IUPAC(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCO[C@@H]2CN(CCCN3CCCCC3)C[C@H]21
InChIInChI=1S/C15H29N3O/c1-16-10-11-19-15-13-18(12-14(15)16)9-5-8-17-6-3-2-4-7-17/h14-15H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeyOAMIZOBROSSKDV-HUUCEWRRSA-N
MW267.42 g/mol
LogP0.88
Rot. Bonds4

About (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 129446177) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID129446177
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCO[C@@H]2CN(CCCN3CCCCC3)C[C@H]21
InChIInChI=1S/C15H29N3O/c1-16-10-11-19-15-13-18(12-14(15)16)9-5-8-17-6-3-2-4-7-17/h14-15H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeyOAMIZOBROSSKDV-HUUCEWRRSA-N
XLogP0.88
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine with MolForge

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Related Compounds

(4aS,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339163
(4aS,7aS)-4-methyl-6-[3-(3-methylphenyl)sulfonylpropyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129446345
1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
CID 113285074
(4aS,7aR)-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 122084631
1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
CID 127614779
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
ethane;5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;sulfane
CID 153330745
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900
1-methyl-6-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
CID 178050349
dichloro-methyl-(3-piperidin-1-ylpropyl)silane
CID 19900955
1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
CID 141349469
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 129446177) is (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is CN1CCO[C@@H]2CN(CCCN3CCCCC3)C[C@H]21.
What is the InChIKey of (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is OAMIZOBROSSKDV-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16-10-11-19-15-13-18(12-14(15)16)9-5-8-17-6-3-2-4-7-17/h14-15H,2-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
(4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 267.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-4-methyl-6-(3-piperidin-1-ylpropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 129446177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).