4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide

C13H21N5O3 — CID 110610730

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NC3CCOCC3)CC2)o1
InChIInChI=1S/C13H21N5O3/c1-10-15-16-13(21-10)18-6-4-17(5-7-18)12(19)14-11-2-8-20-9-3-11/h11H,2-9H2,1H3,(H,14,19)
InChIKeyPNIOXPURTQNEEM-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.39
Rot. Bonds2

About 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 110610730) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID110610730
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NC3CCOCC3)CC2)o1
InChIInChI=1S/C13H21N5O3/c1-10-15-16-13(21-10)18-6-4-17(5-7-18)12(19)14-11-2-8-20-9-3-11/h11H,2-9H2,1H3,(H,14,19)
InChIKeyPNIOXPURTQNEEM-UHFFFAOYSA-N
XLogP0.39
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419056
N-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 110603715
N-cyclohexyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 110395570
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
4-(2,2-dimethylpropanoyl)-N-(oxepan-4-yl)piperazine-1-carboxamide
CID 127754010
2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110603052
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide (CID 110610730) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide is Cc1nnc(N2CCN(C(=O)NC3CCOCC3)CC2)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is PNIOXPURTQNEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-10-15-16-13(21-10)18-6-4-17(5-7-18)12(19)14-11-2-8-20-9-3-11/h11H,2-9H2,1H3,(H,14,19).
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110610730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).