(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide

C16H28N4O3 — CID 99857295

IUPAC(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
SMILESCO[C@H]1CN(C(=O)NCCCc2nc(C(C)C)no2)CC[C@@H]1C
InChIInChI=1S/C16H28N4O3/c1-11(2)15-18-14(23-19-15)6-5-8-17-16(21)20-9-7-12(3)13(10-20)22-4/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyWWLPXXAYIICEAN-STQMWFEESA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds6

About (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide

(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide (PubChem CID 99857295) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
PubChem CID99857295
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
SMILESCO[C@H]1CN(C(=O)NCCCc2nc(C(C)C)no2)CC[C@@H]1C
InChIInChI=1S/C16H28N4O3/c1-11(2)15-18-14(23-19-15)6-5-8-17-16(21)20-9-7-12(3)13(10-20)22-4/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyWWLPXXAYIICEAN-STQMWFEESA-N
XLogP2.19
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
3-methoxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 102674016
3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-carboximidamide
CID 111748059
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 52826046
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 47081216
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 49032240
2-[[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102962679
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide (CID 99857295) is (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide is CO[C@H]1CN(C(=O)NCCCc2nc(C(C)C)no2)CC[C@@H]1C.
What is the InChIKey of (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The InChIKey is WWLPXXAYIICEAN-STQMWFEESA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)15-18-14(23-19-15)6-5-8-17-16(21)20-9-7-12(3)13(10-20)22-4/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 99857295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).