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

C23H40N4O4 — CID 153403819

IUPAC6-[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
SMILESC/C=C(\N(C)C(O)CC1CCN(C(=O)N2CCC3OCC(=O)NC3C2)CC1)C(C)(C)C
InChIInChI=1S/C23H40N4O4/c1-6-19(23(2,3)4)25(5)21(29)13-16-7-10-26(11-8-16)22(30)27-12-9-18-17(14-27)24-20(28)15-31-18/h6,16-18,21,29H,7-15H2,1-5H3,(H,24,28)/b19-6-
InChIKeyPVIOIYZZEKIXHC-SWNXQHNESA-N
MW436.60 g/mol
LogP2.00
Rot. Bonds4

About 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

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 (PubChem CID 153403819) has the molecular formula C23H40N4O4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID153403819
Molecular FormulaC23H40N4O4
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name6-[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
SMILESC/C=C(\N(C)C(O)CC1CCN(C(=O)N2CCC3OCC(=O)NC3C2)CC1)C(C)(C)C
InChIInChI=1S/C23H40N4O4/c1-6-19(23(2,3)4)25(5)21(29)13-16-7-10-26(11-8-16)22(30)27-12-9-18-17(14-27)24-20(28)15-31-18/h6,16-18,21,29H,7-15H2,1-5H3,(H,24,28)/b19-6-
InChIKeyPVIOIYZZEKIXHC-SWNXQHNESA-N
XLogP2.00
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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)-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)-3-methylidene-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]-(4-ethylpiperidin-1-yl)methanone
CID 153403794
(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
(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
(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
(4aR)-6-[4-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 174258262
(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-(trifluoromethyl)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155757167
(4aR)-6-[4-[(4-chlorophenyl)-difluoromethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 139517758
(4aR,8aS)-6-[3-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155757172

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(\N(C)C(O)CC1CCN(C(=O)N2CCC3OCC(=O)NC3C2)CC1)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is PVIOIYZZEKIXHC-SWNXQHNESA-N. The full InChI is InChI=1S/C23H40N4O4/c1-6-19(23(2,3)4)25(5)21(29)13-16-7-10-26(11-8-16)22(30)27-12-9-18-17(14-27)24-20(28)15-31-18/h6,16-18,21,29H,7-15H2,1-5H3,(H,24,28)/b19-6-.
What are the key properties of 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?
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 has a molecular weight of 436.60 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153403819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).