(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide

C23H43N3O3 — CID 155070136

IUPAC(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide
SMILESCCCCC(=O)N[C@H](/C=C/CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1)CC(C)C
InChIInChI=1S/C23H43N3O3/c1-8-9-12-20(27)24-18(14-17(2)3)11-10-13-21(28)25-19-15-22(4,5)26(29)23(6,7)16-19/h10-11,17-19,29H,8-9,12-16H2,1-7H3,(H,24,27)(H,25,28)/b11-10+/t18-/m1/s1
InChIKeyBOWDRBDYKFJRAB-DOJUMQAQSA-N
MW409.62 g/mol
LogP4.18
Rot. Bonds10

About (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide

(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide (PubChem CID 155070136) has the molecular formula C23H43N3O3 and a molecular weight of 409.62 g/mol. Its IUPAC name is (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide.

Molecular Properties

Compound Name(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide
PubChem CID155070136
Molecular FormulaC23H43N3O3
Molecular Weight409.62 g/mol
Exact Mass409.33
IUPAC Name(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide
SMILESCCCCC(=O)N[C@H](/C=C/CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1)CC(C)C
InChIInChI=1S/C23H43N3O3/c1-8-9-12-20(27)24-18(14-17(2)3)11-10-13-21(28)25-19-15-22(4,5)26(29)23(6,7)16-19/h10-11,17-19,29H,8-9,12-16H2,1-7H3,(H,24,27)(H,25,28)/b11-10+/t18-/m1/s1
InChIKeyBOWDRBDYKFJRAB-DOJUMQAQSA-N
XLogP4.18
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide with MolForge

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Related Compounds

tert-butyl N-[(E,4S)-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 70894087
tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
CID 58345830
tert-butyl N-[(4S)-7,7-difluoro-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 123272771
CID 153419566
CID 153419566
4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid
CID 74948398
4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858845
CID 101170549
CID 101170549
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-oxohexyl]-trimethylazanium bromide
CID 71752724
tert-butyl N-[(4S,7S)-7-benzyl-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 91540229
tert-butyl N-[(E,4S,7S)-7-benzyl-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 58918923
N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)pentanamide
CID 176954039

Frequently Asked Questions

What is the IUPAC name of (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide?
The IUPAC name of (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide (CID 155070136) is (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide.
What is the SMILES notation for (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide?
The canonical SMILES for (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide is CCCCC(=O)N[C@H](/C=C/CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1)CC(C)C.
What is the InChIKey of (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide?
The InChIKey is BOWDRBDYKFJRAB-DOJUMQAQSA-N. The full InChI is InChI=1S/C23H43N3O3/c1-8-9-12-20(27)24-18(14-17(2)3)11-10-13-21(28)25-19-15-22(4,5)26(29)23(6,7)16-19/h10-11,17-19,29H,8-9,12-16H2,1-7H3,(H,24,27)(H,25,28)/b11-10+/t18-/m1/s1.
What are the key properties of (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide?
(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide has a molecular weight of 409.62 g/mol, XLogP of 4.18, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide is sourced from PubChem (CID 155070136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).