(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide

C16H26N4O3 — CID 95614743

IUPAC(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCCCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1nc(CC)no1
InChIInChI=1S/C16H26N4O3/c1-4-8-15(21)20-10-7-6-9-12(20)16(22)19(3)11-14-17-13(5-2)18-23-14/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyRSEUZXIMNFQKDX-GFCCVEGCSA-N
MW322.41 g/mol
LogP1.77
Rot. Bonds6

About (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide

(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 95614743) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID95614743
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCCCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1nc(CC)no1
InChIInChI=1S/C16H26N4O3/c1-4-8-15(21)20-10-7-6-9-12(20)16(22)19(3)11-14-17-13(5-2)18-23-14/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyRSEUZXIMNFQKDX-GFCCVEGCSA-N
XLogP1.77
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56760272
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 91783670
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 95291672
N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634423
(2S)-1-butanoyl-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]piperidine-2-carboxamide
CID 97255400
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95347041
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 95326899
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] (2R)-1-butanoylpyrrolidine-2-carboxylate
CID 96523805

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 95614743) is (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide is CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1nc(CC)no1.
What is the InChIKey of (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is RSEUZXIMNFQKDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-8-15(21)20-10-7-6-9-12(20)16(22)19(3)11-14-17-13(5-2)18-23-14/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide?
(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 95614743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).