(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione

C15H17NO3 — CID 44550893

IUPAC(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)CC[C@H](OCc2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-2-10-16-14(17)9-8-13(15(16)18)19-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyINYOGCUCFHPOHI-ZDUSSCGKSA-N
MW259.30 g/mol
LogP1.91
Rot. Bonds5

About (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione

(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione (PubChem CID 44550893) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione
PubChem CID44550893
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)CC[C@H](OCc2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-2-10-16-14(17)9-8-13(15(16)18)19-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyINYOGCUCFHPOHI-ZDUSSCGKSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
1-(Ethoxycarbonyl)-3-methoxy-3-phenyl-2-piperidinone
CID 137301
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
Phenylmethyl 2-acetyl-4-morpholinecarboxylate
CID 18354411
Ethyl 3-(acetyloxy)-2-oxo-3-phenylpiperidine-1-carboxylate
CID 44305043
N-(2-ethylphenyl)-4-piperidin-1-yl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53150611
N-(4-methoxyphenyl)-4-[5-(morpholin-4-ylcarbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53150645
3-{[4-(Benzyloxy)-1-piperidinyl]carbonyl}-1-(methoxyacetyl)piperidine
CID 72838121
2,2-Dimethyl-1-(2-phenylmorpholino)propan-1-one
CID 16894672
Cyclohexyl(2-phenylmorpholino)methanone
CID 16894670
1-{2-[3-(Benzyloxy)piperidin-1-YL]-2-oxoethyl}azepan-2-one
CID 72842741

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione (CID 44550893) is (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione is C=CCN1C(=O)CC[C@H](OCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione?
The InChIKey is INYOGCUCFHPOHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-10-16-14(17)9-8-13(15(16)18)19-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione?
(3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione has a molecular weight of 259.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylmethoxy-1-prop-2-enylpiperidine-2,6-dione is sourced from PubChem (CID 44550893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).