N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine

C21H33N3O2 — CID 167850617

IUPACN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1N1CCC(NCC2CN3CCCCC3CO2)CC1
InChIInChI=1S/C21H33N3O2/c1-25-21-8-3-2-7-20(21)23-12-9-17(10-13-23)22-14-19-15-24-11-5-4-6-18(24)16-26-19/h2-3,7-8,17-19,22H,4-6,9-16H2,1H3
InChIKeySUAIZAOSJIWZIG-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.51
Rot. Bonds5

About N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine

N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine (PubChem CID 167850617) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine
PubChem CID167850617
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1N1CCC(NCC2CN3CCCCC3CO2)CC1
InChIInChI=1S/C21H33N3O2/c1-25-21-8-3-2-7-20(21)23-12-9-17(10-13-23)22-14-19-15-24-11-5-4-6-18(24)16-26-19/h2-3,7-8,17-19,22H,4-6,9-16H2,1H3
InChIKeySUAIZAOSJIWZIG-UHFFFAOYSA-N
XLogP2.51
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine with MolForge

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Related Compounds

N'-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133061
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 79083004
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75472303
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
tert-butyl 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)piperidine-1-carboxylate
CID 113246591
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methoxycyclohexan-1-amine
CID 79082500
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
1-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[(2,3-dimethoxyphenyl)methyl]urea
CID 95598167
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111340442
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448600
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylthiolan-3-amine
CID 79950813

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine (CID 167850617) is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine is COc1ccccc1N1CCC(NCC2CN3CCCCC3CO2)CC1.
What is the InChIKey of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine?
The InChIKey is SUAIZAOSJIWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-25-21-8-3-2-7-20(21)23-12-9-17(10-13-23)22-14-19-15-24-11-5-4-6-18(24)16-26-19/h2-3,7-8,17-19,22H,4-6,9-16H2,1H3.
What are the key properties of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine?
N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine has a molecular weight of 359.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 167850617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).