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

C14H23N3O2 — CID 94816217

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H23N3O2/c1-3-6-12-15-13(19-16-12)8-9-14(18)17-10-5-4-7-11(17)2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyKQIKSGQOMPWWPX-NSHDSACASA-N
MW265.36 g/mol
LogP2.36
Rot. Bonds5

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

1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 94816217) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID94816217
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H23N3O2/c1-3-6-12-15-13(19-16-12)8-9-14(18)17-10-5-4-7-11(17)2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyKQIKSGQOMPWWPX-NSHDSACASA-N
XLogP2.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one 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 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 94816217) is 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is CCCc1noc(CCC(=O)N2CCCC[C@@H]2C)n1.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is KQIKSGQOMPWWPX-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-6-12-15-13(19-16-12)8-9-14(18)17-10-5-4-7-11(17)2/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 94816217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).