(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C16H28N4O2 — CID 51984767

IUPAC(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1
InChIInChI=1S/C16H28N4O2/c1-3-5-10-14-18-15(22-19-14)13-9-7-8-12-20(13)16(21)17-11-6-4-2/h13H,3-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyLTAVJMRBUMXXLV-ZDUSSCGKSA-N
MW308.43 g/mol
LogP3.45
Rot. Bonds7

About (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 51984767) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID51984767
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1
InChIInChI=1S/C16H28N4O2/c1-3-5-10-14-18-15(22-19-14)13-9-7-8-12-20(13)16(21)17-11-6-4-2/h13H,3-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyLTAVJMRBUMXXLV-ZDUSSCGKSA-N
XLogP3.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760781
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126447176
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 91918857
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 125435815
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53338100
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91920794
(2S)-2-(3-heptadecyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
CID 129286703
(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 95057870
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 51984767) is (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1.
What is the InChIKey of (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LTAVJMRBUMXXLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-5-10-14-18-15(22-19-14)13-9-7-8-12-20(13)16(21)17-11-6-4-2/h13H,3-12H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 51984767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).