3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one

C14H25N3O3 — CID 109412535

IUPAC3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(CC(O)CN2CCC(C)CC2)c(=O)o1
InChIInChI=1S/C14H25N3O3/c1-3-4-13-15-17(14(19)20-13)10-12(18)9-16-7-5-11(2)6-8-16/h11-12,18H,3-10H2,1-2H3
InChIKeyWXFADJPXGTXRSS-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds6

About 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 109412535) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID109412535
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(CC(O)CN2CCC(C)CC2)c(=O)o1
InChIInChI=1S/C14H25N3O3/c1-3-4-13-15-17(14(19)20-13)10-12(18)9-16-7-5-11(2)6-8-16/h11-12,18H,3-10H2,1-2H3
InChIKeyWXFADJPXGTXRSS-UHFFFAOYSA-N
XLogP0.88
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97243364
3-[2-(2-bromophenyl)-2-hydroxyethyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412529
6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 110921665
1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109412002
1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
CID 109411933
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-(4-methylpiperidin-1-yl)-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol
CID 109412263
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95610396

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one (CID 109412535) is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(CC(O)CN2CCC(C)CC2)c(=O)o1.
What is the InChIKey of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is WXFADJPXGTXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-4-13-15-17(14(19)20-13)10-12(18)9-16-7-5-11(2)6-8-16/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 283.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 109412535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).