3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H18N6O3 — CID 131898193

IUPAC3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNCC1CCCCN1C(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C11H18N6O3/c12-5-7-3-1-2-4-17(7)11(19)14-6-8-15-10(9(13)18)20-16-8/h7H,1-6,12H2,(H2,13,18)(H,14,19)
InChIKeyPRRBYBRPROKUPW-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.81
Rot. Bonds4

About 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 131898193) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID131898193
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNCC1CCCCN1C(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C11H18N6O3/c12-5-7-3-1-2-4-17(7)11(19)14-6-8-15-10(9(13)18)20-16-8/h7H,1-6,12H2,(H2,13,18)(H,14,19)
InChIKeyPRRBYBRPROKUPW-UHFFFAOYSA-N
XLogP-0.81
TPSA140.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 97074229
2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 131944572
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
3-[(2,3,3-trimethylbutanoylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 70969869
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 139322097
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 125447060
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136534776
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 131898193) is 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is NCC1CCCCN1C(=O)NCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is PRRBYBRPROKUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c12-5-7-3-1-2-4-17(7)11(19)14-6-8-15-10(9(13)18)20-16-8/h7H,1-6,12H2,(H2,13,18)(H,14,19).
What are the key properties of 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 131898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).