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

C20H28N4O3 — CID 53166985

IUPACN-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C20H28N4O3/c1-4-5-12-23(2)19(25)16-10-13-24(14-11-16)20-22-21-18(27-20)15-6-8-17(26-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyOPQOHGHZZAWSHO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.22
Rot. Bonds7

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

N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 53166985) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID53166985
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C20H28N4O3/c1-4-5-12-23(2)19(25)16-10-13-24(14-11-16)20-22-21-18(27-20)15-6-8-17(26-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyOPQOHGHZZAWSHO-UHFFFAOYSA-N
XLogP3.22
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide (CID 53166985) is N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1.
What is the InChIKey of N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OPQOHGHZZAWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-5-12-23(2)19(25)16-10-13-24(14-11-16)20-22-21-18(27-20)15-6-8-17(26-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3.
What are the key properties of N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).