[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone

C16H27N3O2 — CID 153403794

IUPAC[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone
SMILESC=C1COC2CCN(C(=O)N3CCC(CC)CC3)C[C@H]2N1
InChIInChI=1S/C16H27N3O2/c1-3-13-4-7-18(8-5-13)16(20)19-9-6-15-14(10-19)17-12(2)11-21-15/h13-15,17H,2-11H2,1H3/t14-,15?/m1/s1
InChIKeyZOXGDYNVXZZOMO-GICMACPYSA-N
MW293.41 g/mol
LogP1.80
Rot. Bonds1

About [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone

[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone (PubChem CID 153403794) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone
PubChem CID153403794
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone
SMILESC=C1COC2CCN(C(=O)N3CCC(CC)CC3)C[C@H]2N1
InChIInChI=1S/C16H27N3O2/c1-3-13-4-7-18(8-5-13)16(20)19-9-6-15-14(10-19)17-12(2)11-21-15/h13-15,17H,2-11H2,1H3/t14-,15?/m1/s1
InChIKeyZOXGDYNVXZZOMO-GICMACPYSA-N
XLogP1.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aS)-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 146381017
[(4aR,8aS)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 139517816
6-[4-[2-[[(Z)-4,4-dimethylpent-2-en-3-yl]-methylamino]-2-hydroxyethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 153403819
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
(4aR,8aS)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155160531
(4aR)-6-[4-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 139517861
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
(4aR,8aS)-6-[4-[(4-chloro-2-fluorophenoxy)methyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155141973
(4aR,8aS)-6-[3-[4-(2,2-dimethylpropyl)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 139517819
[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen
CID 153403762
(4aR)-6-[3-[4-(4-methylphenyl)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 139517871
(4aS)-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 153259398

Frequently Asked Questions

What is the IUPAC name of [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone (CID 153403794) is [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone is C=C1COC2CCN(C(=O)N3CCC(CC)CC3)C[C@H]2N1.
What is the InChIKey of [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is ZOXGDYNVXZZOMO-GICMACPYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-13-4-7-18(8-5-13)16(20)19-9-6-15-14(10-19)17-12(2)11-21-15/h13-15,17H,2-11H2,1H3/t14-,15?/m1/s1.
What are the key properties of [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone?
[(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 153403794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).