[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol

C13H23N3O3 — CID 97141044

IUPAC[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(Cc2noc(COC)n2)C1
InChIInChI=1S/C13H23N3O3/c1-3-13(10-17)5-4-6-16(9-13)7-11-14-12(8-18-2)19-15-11/h17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyFWEOPADUNJVNDR-ZDUSSCGKSA-N
MW269.34 g/mol
LogP1.20
Rot. Bonds6

About [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol

[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol (PubChem CID 97141044) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
PubChem CID97141044
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(Cc2noc(COC)n2)C1
InChIInChI=1S/C13H23N3O3/c1-3-13(10-17)5-4-6-16(9-13)7-11-14-12(8-18-2)19-15-11/h17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyFWEOPADUNJVNDR-ZDUSSCGKSA-N
XLogP1.20
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 110019482
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 130627522
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
CID 155494816
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol (CID 97141044) is [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol is CC[C@]1(CO)CCCN(Cc2noc(COC)n2)C1.
What is the InChIKey of [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is FWEOPADUNJVNDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-13(10-17)5-4-6-16(9-13)7-11-14-12(8-18-2)19-15-11/h17H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol?
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97141044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).