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

C13H23N5O3 — CID 106965710

IUPAC1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(CNCCOC)o2)C1
InChIInChI=1S/C13H23N5O3/c1-14-12(19)10-4-3-6-18(9-10)13-17-16-11(21-13)8-15-5-7-20-2/h10,15H,3-9H2,1-2H3,(H,14,19)
InChIKeyNGOLRVBYHPTNGZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.23
Rot. Bonds7

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

1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 106965710) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
PubChem CID106965710
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(CNCCOC)o2)C1
InChIInChI=1S/C13H23N5O3/c1-14-12(19)10-4-3-6-18(9-10)13-17-16-11(21-13)8-15-5-7-20-2/h10,15H,3-9H2,1-2H3,(H,14,19)
InChIKeyNGOLRVBYHPTNGZ-UHFFFAOYSA-N
XLogP-0.23
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106965698
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959475
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 103811077
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106963724
[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965906
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106959889
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106960883
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide (CID 106965710) is 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nnc(CNCCOC)o2)C1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is NGOLRVBYHPTNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-14-12(19)10-4-3-6-18(9-10)13-17-16-11(21-13)8-15-5-7-20-2/h10,15H,3-9H2,1-2H3,(H,14,19).
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide?
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 106965710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).