N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine

C14H19BrN4O2 — CID 106637026

IUPACN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1nnc(-c2ccc(Br)o2)o1)CC1CCCNC1
InChIInChI=1S/C14H19BrN4O2/c1-19(8-10-3-2-6-16-7-10)9-13-17-18-14(21-13)11-4-5-12(15)20-11/h4-5,10,16H,2-3,6-9H2,1H3
InChIKeyLDMGSNVYCVJSSE-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.52
Rot. Bonds5

About N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106637026) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106637026
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC NameN-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1nnc(-c2ccc(Br)o2)o1)CC1CCCNC1
InChIInChI=1S/C14H19BrN4O2/c1-19(8-10-3-2-6-16-7-10)9-13-17-18-14(21-13)11-4-5-12(15)20-11/h4-5,10,16H,2-3,6-9H2,1H3
InChIKeyLDMGSNVYCVJSSE-UHFFFAOYSA-N
XLogP2.52
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine with MolForge

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Related Compounds

N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63304555
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106637026) is N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1nnc(-c2ccc(Br)o2)o1)CC1CCCNC1.
What is the InChIKey of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is LDMGSNVYCVJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-19(8-10-3-2-6-16-7-10)9-13-17-18-14(21-13)11-4-5-12(15)20-11/h4-5,10,16H,2-3,6-9H2,1H3.
What are the key properties of N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 355.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106637026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).