(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one

C23H27NO4 — CID 141068643

IUPAC(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1(O)[C@@H](OCc2ccccc2)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H27NO4/c1-3-15-23(26)21(28-17-19-7-5-4-6-8-19)13-14-22(25)24(23)16-18-9-11-20(27-2)12-10-18/h3-12,21,26H,1,13-17H2,2H3/t21-,23?/m0/s1
InChIKeyRTMWDQRRFFUQGU-BBQAJUCSSA-N
MW381.47 g/mol
LogP3.67
Rot. Bonds8

About (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one

(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one (PubChem CID 141068643) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
PubChem CID141068643
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1(O)[C@@H](OCc2ccccc2)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H27NO4/c1-3-15-23(26)21(28-17-19-7-5-4-6-8-19)13-14-22(25)24(23)16-18-9-11-20(27-2)12-10-18/h3-12,21,26H,1,13-17H2,2H3/t21-,23?/m0/s1
InChIKeyRTMWDQRRFFUQGU-BBQAJUCSSA-N
XLogP3.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(3S,4S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 24767024
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
(4S)-5-ethenyl-5-hydroxy-4-phenylmethoxy-1-prop-2-enylpyrrolidin-2-one
CID 102114525
(4aR,7S,7aS)-4a-hydroxy-5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7-phenylmethoxy-7,7a-dihydro-4H-[1,3]dioxino[5,4-b]pyrrol-6-one
CID 53230760
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-5,6-bis(phenylmethoxy)-4-prop-2-enoxycyclohexane-1,2-diol
CID 11060387
(1S,2S,3S,4S,5S,6R)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-prop-2-enoxycyclohexan-1-ol
CID 46845459

Frequently Asked Questions

What is the IUPAC name of (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one?
The IUPAC name of (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one (CID 141068643) is (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one is C=CCC1(O)[C@@H](OCc2ccccc2)CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one?
The InChIKey is RTMWDQRRFFUQGU-BBQAJUCSSA-N. The full InChI is InChI=1S/C23H27NO4/c1-3-15-23(26)21(28-17-19-7-5-4-6-8-19)13-14-22(25)24(23)16-18-9-11-20(27-2)12-10-18/h3-12,21,26H,1,13-17H2,2H3/t21-,23?/m0/s1.
What are the key properties of (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one?
(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one has a molecular weight of 381.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 141068643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).