methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate

C18H23N3O3 — CID 95372072

IUPACmethyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN([C@@H](C)c2nc(C)no2)CC1
InChIInChI=1S/C18H23N3O3/c1-13(16-19-14(2)20-24-16)21-11-9-18(10-12-21,17(22)23-3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3/t13-/m0/s1
InChIKeyVQNCVYYMSRNSFU-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds4

About methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate

methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 95372072) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
PubChem CID95372072
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN([C@@H](C)c2nc(C)no2)CC1
InChIInChI=1S/C18H23N3O3/c1-13(16-19-14(2)20-24-16)21-11-9-18(10-12-21,17(22)23-3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3/t13-/m0/s1
InChIKeyVQNCVYYMSRNSFU-ZDUSSCGKSA-N
XLogP2.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate (CID 95372072) is methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN([C@@H](C)c2nc(C)no2)CC1.
What is the InChIKey of methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is VQNCVYYMSRNSFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(16-19-14(2)20-24-16)21-11-9-18(10-12-21,17(22)23-3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 95372072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).