1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid

C17H27N3O3 — CID 136555542

IUPAC1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CC(C)N1Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C17H27N3O3/c1-11-8-14(17(21)22)9-12(2)20(11)10-15-18-16(23-19-15)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3,(H,21,22)
InChIKeyLRBUPDKSWHHYSP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.19
Rot. Bonds4

About 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid

1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid (PubChem CID 136555542) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
PubChem CID136555542
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CC(C)N1Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C17H27N3O3/c1-11-8-14(17(21)22)9-12(2)20(11)10-15-18-16(23-19-15)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3,(H,21,22)
InChIKeyLRBUPDKSWHHYSP-UHFFFAOYSA-N
XLogP3.19
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 61495168
methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 127623329
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451055
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanimidamide
CID 124886897

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid (CID 136555542) is 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CC(C)N1Cc1noc(C2CCCCC2)n1.
What is the InChIKey of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid?
The InChIKey is LRBUPDKSWHHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-8-14(17(21)22)9-12(2)20(11)10-15-18-16(23-19-15)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid?
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 136555542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).