N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide

C17H27N5O2 — CID 166307231

IUPACN-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide
SMILESO=C(NCc1nnc(N2CCCCC2)o1)C12CCCN(CCC1)C2
InChIInChI=1S/C17H27N5O2/c23-15(17-6-4-8-21(13-17)9-5-7-17)18-12-14-19-20-16(24-14)22-10-2-1-3-11-22/h1-13H2,(H,18,23)
InChIKeyZZYIAXNDFFKRDF-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.55
Rot. Bonds4

About N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide

N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide (PubChem CID 166307231) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide.

Molecular Properties

Compound NameN-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide
PubChem CID166307231
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide
SMILESO=C(NCc1nnc(N2CCCCC2)o1)C12CCCN(CCC1)C2
InChIInChI=1S/C17H27N5O2/c23-15(17-6-4-8-21(13-17)9-5-7-17)18-12-14-19-20-16(24-14)22-10-2-1-3-11-22/h1-13H2,(H,18,23)
InChIKeyZZYIAXNDFFKRDF-UHFFFAOYSA-N
XLogP1.55
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide with MolForge

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Related Compounds

2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
CID 82470813
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 106967817
N-[[5-(3-methoxy-3-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 107396649
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106961124
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185
2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 167899694
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106970443
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 107460427
1-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-3-ol
CID 106958843

Frequently Asked Questions

What is the IUPAC name of N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide?
The IUPAC name of N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide (CID 166307231) is N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide.
What is the SMILES notation for N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide?
The canonical SMILES for N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide is O=C(NCc1nnc(N2CCCCC2)o1)C12CCCN(CCC1)C2.
What is the InChIKey of N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide?
The InChIKey is ZZYIAXNDFFKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-15(17-6-4-8-21(13-17)9-5-7-17)18-12-14-19-20-16(24-14)22-10-2-1-3-11-22/h1-13H2,(H,18,23).
What are the key properties of N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide?
N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-1-azabicyclo[3.3.1]nonane-5-carboxamide is sourced from PubChem (CID 166307231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).