N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide

C18H26N2O4 — CID 73387771

IUPACN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CN(C/C=C/c2ccccc2)[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O4/c1-2-16(22)19-14-11-20(15(12-21)18(24)17(14)23)10-6-9-13-7-4-3-5-8-13/h3-9,14-15,17-18,21,23-24H,2,10-12H2,1H3,(H,19,22)/b9-6+/t14-,15+,17+,18+/m0/s1
InChIKeyBQZKWOKPDYFWOE-MWLJADKUSA-N
MW334.42 g/mol
LogP-0.01
Rot. Bonds6

About N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide (PubChem CID 73387771) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide
PubChem CID73387771
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CN(C/C=C/c2ccccc2)[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O4/c1-2-16(22)19-14-11-20(15(12-21)18(24)17(14)23)10-6-9-13-7-4-3-5-8-13/h3-9,14-15,17-18,21,23-24H,2,10-12H2,1H3,(H,19,22)/b9-6+/t14-,15+,17+,18+/m0/s1
InChIKeyBQZKWOKPDYFWOE-MWLJADKUSA-N
XLogP-0.01
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 90005133
(2R,3R,4R,5S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 14819947
methyl (2S,4S)-4-hydroxy-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylate
CID 71969468
(2R,3R,4R,5S)-1-[(E)-3-(2-chlorophenyl)prop-2-enyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 12767034
(2R,3R,4R,5S)-1-[(E)-3-(2-fluorophenyl)prop-2-enyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 14819949
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(2-phenylethenyl)phenyl]methyl]piperidine-3,4,5-triol
CID 90944438
[2-methyl-3-phenyl-1-(3-phenylprop-2-enyl)pyrrolidin-3-yl] propanoate
CID 3053117
N-[(3aS,5R,6R,7aR)-6-methoxy-2-[(E)-3-phenylprop-2-enyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172673134
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
CID 77111542

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide (CID 73387771) is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide is CCC(=O)N[C@H]1CN(C/C=C/c2ccccc2)[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide?
The InChIKey is BQZKWOKPDYFWOE-MWLJADKUSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-16(22)19-14-11-20(15(12-21)18(24)17(14)23)10-6-9-13-7-4-3-5-8-13/h3-9,14-15,17-18,21,23-24H,2,10-12H2,1H3,(H,19,22)/b9-6+/t14-,15+,17+,18+/m0/s1.
What are the key properties of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide?
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 73387771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).