N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C14H22N4O3 — CID 72891506

IUPACN,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(19)18-6-3-10(4-7-18)13-15-12(16-21-13)11-5-8-20-9-11/h10-11H,3-9H2,1-2H3
InChIKeyVIICMYMAJNZXIY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.43
Rot. Bonds2

About N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 72891506) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID72891506
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(19)18-6-3-10(4-7-18)13-15-12(16-21-13)11-5-8-20-9-11/h10-11H,3-9H2,1-2H3
InChIKeyVIICMYMAJNZXIY-UHFFFAOYSA-N
XLogP1.43
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 72891506) is N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(C3CCOC3)no2)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is VIICMYMAJNZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)14(19)18-6-3-10(4-7-18)13-15-12(16-21-13)11-5-8-20-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72891506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).