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

C14H25N5O2 — CID 86919634

IUPAC4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCCCc1noc(CN2CCN(C(=O)NCC)CC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-6-12-16-13(21-17-12)11-18-7-9-19(10-8-18)14(20)15-4-2/h3-11H2,1-2H3,(H,15,20)
InChIKeyAJLYSTPLWSHLJZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.26
Rot. Bonds6

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

4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 86919634) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID86919634
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCCCc1noc(CN2CCN(C(=O)NCC)CC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-6-12-16-13(21-17-12)11-18-7-9-19(10-8-18)14(20)15-4-2/h3-11H2,1-2H3,(H,15,20)
InChIKeyAJLYSTPLWSHLJZ-UHFFFAOYSA-N
XLogP1.26
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55534209
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395
4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 63126636
tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 94646824
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
CID 134706867
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide (CID 86919634) is 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide is CCCCc1noc(CN2CCN(C(=O)NCC)CC2)n1.
What is the InChIKey of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is AJLYSTPLWSHLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-5-6-12-16-13(21-17-12)11-18-7-9-19(10-8-18)14(20)15-4-2/h3-11H2,1-2H3,(H,15,20).
What are the key properties of 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide?
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86919634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).