2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C19H18FN3O3 — CID 70719761

IUPAC2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2nonc2c1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN3O3/c20-15-4-6-16(7-5-15)25-12-13-2-1-9-23(11-13)19(24)14-3-8-17-18(10-14)22-26-21-17/h3-8,10,13H,1-2,9,11-12H2
InChIKeyZUVHURYIZXYXIT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.29
Rot. Bonds4

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

2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70719761) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70719761
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2nonc2c1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN3O3/c20-15-4-6-16(7-5-15)25-12-13-2-1-9-23(11-13)19(24)14-3-8-17-18(10-14)22-26-21-17/h3-8,10,13H,1-2,9,11-12H2
InChIKeyZUVHURYIZXYXIT-UHFFFAOYSA-N
XLogP3.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-5-yl]methanone
CID 51872878
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70781847

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 70719761) is 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is O=C(c1ccc2nonc2c1)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is ZUVHURYIZXYXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-15-4-6-16(7-5-15)25-12-13-2-1-9-23(11-13)19(24)14-3-8-17-18(10-14)22-26-21-17/h3-8,10,13H,1-2,9,11-12H2.
What are the key properties of 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70719761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).