4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole

C15H17N5O — CID 131934227

IUPAC4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1cc(CN2CCCC(c3ncc[nH]3)C2)c2nonc2c1
InChIInChI=1S/C15H17N5O/c1-3-11(14-13(5-1)18-21-19-14)9-20-8-2-4-12(10-20)15-16-6-7-17-15/h1,3,5-7,12H,2,4,8-10H2,(H,16,17)
InChIKeyNYVOYGBMDQLTGA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.33
Rot. Bonds3

About 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole

4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 131934227) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID131934227
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1cc(CN2CCCC(c3ncc[nH]3)C2)c2nonc2c1
InChIInChI=1S/C15H17N5O/c1-3-11(14-13(5-1)18-21-19-14)9-20-8-2-4-12(10-20)15-16-6-7-17-15/h1,3,5-7,12H,2,4,8-10H2,(H,16,17)
InChIKeyNYVOYGBMDQLTGA-UHFFFAOYSA-N
XLogP2.33
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 126437669
3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
CID 97155322
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
4-[[(4R)-4-methylazocan-1-yl]methyl]-2,1,3-benzoxadiazole
CID 70887571
1-[5-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95869172
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2-chlorobenzamide
CID 97285714
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45211325
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-2,1,3-benzoxadiazole
CID 74230653
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95211325
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole (CID 131934227) is 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole is c1cc(CN2CCCC(c3ncc[nH]3)C2)c2nonc2c1.
What is the InChIKey of 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is NYVOYGBMDQLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-11(14-13(5-1)18-21-19-14)9-20-8-2-4-12(10-20)15-16-6-7-17-15/h1,3,5-7,12H,2,4,8-10H2,(H,16,17).
What are the key properties of 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 283.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 131934227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).