(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide

C13H20N4O2 — CID 97074173

IUPAC(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-3-6-14-13(18)17-7-4-5-11(9-17)8-12-15-10(2)19-16-12/h3,11H,1,4-9H2,2H3,(H,14,18)/t11-/m1/s1
InChIKeyYBEHAYVIXLSJDE-LLVKDONJSA-N
MW264.33 g/mol
LogP1.53
Rot. Bonds4

About (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide

(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 97074173) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID97074173
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-3-6-14-13(18)17-7-4-5-11(9-17)8-12-15-10(2)19-16-12/h3,11H,1,4-9H2,2H3,(H,14,18)/t11-/m1/s1
InChIKeyYBEHAYVIXLSJDE-LLVKDONJSA-N
XLogP1.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-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

3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 53586204
N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 53610786
3-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
CID 50988179
3-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine hydrochloride
CID 50988178
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propyl-6-azaspiro[2.5]octane-6-carboxamide
CID 124077970
N'-(cyclohexylmethyl)-N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylurea
CID 119061210
3-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-amine
CID 68572102
3-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-amine
CID 68572105
1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxamide
CID 71272690
1-[5-[5-(Ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone
CID 91167706
(3S)-4-[1-amino-3-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-methylpiperidine-1-carbaldehyde
CID 126698853

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide (CID 97074173) is (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1.
What is the InChIKey of (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is YBEHAYVIXLSJDE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-14-13(18)17-7-4-5-11(9-17)8-12-15-10(2)19-16-12/h3,11H,1,4-9H2,2H3,(H,14,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide?
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 97074173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).