2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C13H23N3O2 — CID 96538841

IUPAC2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOC[C@@H]1CCCN(Cc2nnc(C(C)C)o2)C1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-15-14-12(18-13)8-16-6-4-5-11(7-16)9-17-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyDDTJJFYGYYSJNR-LLVKDONJSA-N
MW253.35 g/mol
LogP2.05
Rot. Bonds5

About 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 96538841) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID96538841
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOC[C@@H]1CCCN(Cc2nnc(C(C)C)o2)C1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-15-14-12(18-13)8-16-6-4-5-11(7-16)9-17-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyDDTJJFYGYYSJNR-LLVKDONJSA-N
XLogP2.05
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

(2R)-2-(cyclohexylmethyl)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95486281
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate
CID 97019049
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
N,N-dimethyl-1-[(2S)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95332231
2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 130703721
2-methyl-5-[[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 163354661
N-[[5-[3-(methoxymethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106959508
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557672
cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395857

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 96538841) is 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is COC[C@@H]1CCCN(Cc2nnc(C(C)C)o2)C1.
What is the InChIKey of 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is DDTJJFYGYYSJNR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)13-15-14-12(18-13)8-16-6-4-5-11(7-16)9-17-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 253.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 96538841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).