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

C15H26N4O3 — CID 119817334

IUPACN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2nc(C(C)(C)C)no2)CCNCC1
InChIInChI=1S/C15H26N4O3/c1-10(11-18-12(19-22-11)14(2,3)4)17-13(20)15(21-5)6-8-16-9-7-15/h10,16H,6-9H2,1-5H3,(H,17,20)
InChIKeyTWVNLQBFTBVNEL-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.31
Rot. Bonds4

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

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119817334) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119817334
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2nc(C(C)(C)C)no2)CCNCC1
InChIInChI=1S/C15H26N4O3/c1-10(11-18-12(19-22-11)14(2,3)4)17-13(20)15(21-5)6-8-16-9-7-15/h10,16H,6-9H2,1-5H3,(H,17,20)
InChIKeyTWVNLQBFTBVNEL-UHFFFAOYSA-N
XLogP1.31
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119817334) is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)c2nc(C(C)(C)C)no2)CCNCC1.
What is the InChIKey of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is TWVNLQBFTBVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(11-18-12(19-22-11)14(2,3)4)17-13(20)15(21-5)6-8-16-9-7-15/h10,16H,6-9H2,1-5H3,(H,17,20).
What are the key properties of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119817334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).