1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide

C15H26N4O2 — CID 37258781

IUPAC1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-10(13-17-14(18-21-13)15(2,3)4)19-8-6-11(7-9-19)12(20)16-5/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-/m0/s1
InChIKeyPGDHSBGLNPNOBJ-JTQLQIEISA-N
MW294.40 g/mol
LogP1.89
Rot. Bonds3

About 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide

1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 37258781) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID37258781
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-10(13-17-14(18-21-13)15(2,3)4)19-8-6-11(7-9-19)12(20)16-5/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-/m0/s1
InChIKeyPGDHSBGLNPNOBJ-JTQLQIEISA-N
XLogP1.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide (CID 37258781) is 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PGDHSBGLNPNOBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(13-17-14(18-21-13)15(2,3)4)19-8-6-11(7-9-19)12(20)16-5/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide?
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 37258781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).