5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one

C15H24N2O2 — CID 155738522

IUPAC5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one
SMILESC=C/C=C(\C=C)C1CC(NC)C(=O)N(CCO)C1C
InChIInChI=1S/C15H24N2O2/c1-5-7-12(6-2)13-10-14(16-4)15(19)17(8-9-18)11(13)3/h5-7,11,13-14,16,18H,1-2,8-10H2,3-4H3/b12-7+
InChIKeyWTVSZWLRDPEMFU-KPKJPENVSA-N
MW264.37 g/mol
LogP1.10
Rot. Bonds6

About 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one

5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one (PubChem CID 155738522) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one
PubChem CID155738522
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one
SMILESC=C/C=C(\C=C)C1CC(NC)C(=O)N(CCO)C1C
InChIInChI=1S/C15H24N2O2/c1-5-7-12(6-2)13-10-14(16-4)15(19)17(8-9-18)11(13)3/h5-7,11,13-14,16,18H,1-2,8-10H2,3-4H3/b12-7+
InChIKeyWTVSZWLRDPEMFU-KPKJPENVSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S,6R)-3-amino-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]-6-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-2-one
CID 139483886
N-(1-hydroxybutan-2-yl)-6-[[(2S)-2-[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]propanoyl]amino]hexanamide
CID 58018242
N-[(3S)-1-(2-hydroxy-2-pyrrolidin-1-ylethyl)-2-oxoazepan-3-yl]-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 59873483
(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide
CID 118286966
(3S,5S,6R)-3-amino-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1-(2-methylpropyl)piperidin-2-one
CID 126545847
N-(2-hydroxyethyl)-4-(2-methylbut-3-enyl)piperidine-2-carboxamide
CID 145590584
ethane;N-[5-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-2-oxo-1-(2-oxoethyl)piperidin-3-yl]-2-methylprop-2-enamide
CID 155738505
(2S)-2-[[2-[[(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropyl]-methylamino]acetyl]-methylamino]-N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylpentanamide
CID 156127748
N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 163682289
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2-(4-methylcyclohex-3-en-1-yl)acetamide
CID 178634995
N-[1-(2-hydroxy-2-pyrrolidin-1-ylethyl)-2-oxoazepan-3-yl]-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 22945928
(2S)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-4-methylpentanamide
CID 86779813

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one?
The IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one (CID 155738522) is 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one?
The canonical SMILES for 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one is C=C/C=C(\C=C)C1CC(NC)C(=O)N(CCO)C1C.
What is the InChIKey of 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one?
The InChIKey is WTVSZWLRDPEMFU-KPKJPENVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-12(6-2)13-10-14(16-4)15(19)17(8-9-18)11(13)3/h5-7,11,13-14,16,18H,1-2,8-10H2,3-4H3/b12-7+.
What are the key properties of 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one?
5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-hexa-1,3,5-trien-3-yl]-1-(2-hydroxyethyl)-6-methyl-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 155738522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).