2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C18H18N4O3 — CID 70763307

IUPAC2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nonc2c1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C18H18N4O3/c23-18(14-3-4-16-17(10-14)21-25-20-16)22-8-5-15(6-9-22)24-12-13-2-1-7-19-11-13/h1-4,7,10-11,15H,5-6,8-9,12H2
InChIKeyIQNDNHGJRCLGEV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.44
Rot. Bonds4

About 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70763307) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70763307
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nonc2c1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C18H18N4O3/c23-18(14-3-4-16-17(10-14)21-25-20-16)22-8-5-15(6-9-22)24-12-13-2-1-7-19-11-13/h1-4,7,10-11,15H,5-6,8-9,12H2
InChIKeyIQNDNHGJRCLGEV-UHFFFAOYSA-N
XLogP2.44
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
2,1,3-benzoxadiazol-5-yl-[4-[3-(dimethylamino)propoxy]piperidin-1-yl]methanone
CID 122134713
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 3400878
[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70755584

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70763307) is 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1ccc2nonc2c1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is IQNDNHGJRCLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-18(14-3-4-16-17(10-14)21-25-20-16)22-8-5-15(6-9-22)24-12-13-2-1-7-19-11-13/h1-4,7,10-11,15H,5-6,8-9,12H2.
What are the key properties of 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70763307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).