N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide

C22H22F2N4O2 — CID 56526384

IUPACN-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1
InChIInChI=1S/C22H22F2N4O2/c23-17-8-6-15(7-9-17)21-26-22(30-27-21)16-3-2-11-28(14-16)12-10-20(29)25-19-5-1-4-18(24)13-19/h1,4-9,13,16H,2-3,10-12,14H2,(H,25,29)
InChIKeyGARVGHMLXVZLFX-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.22
Rot. Bonds6

About N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide

N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide (PubChem CID 56526384) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
PubChem CID56526384
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC NameN-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1
InChIInChI=1S/C22H22F2N4O2/c23-17-8-6-15(7-9-17)21-26-22(30-27-21)16-3-2-11-28(14-16)12-10-20(29)25-19-5-1-4-18(24)13-19/h1,4-9,13,16H,2-3,10-12,14H2,(H,25,29)
InChIKeyGARVGHMLXVZLFX-UHFFFAOYSA-N
XLogP4.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395
N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526401
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 31990337
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981414
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 52909470
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
CID 53131838
(3S)-N-(3-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 51405847
N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 95092407

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide (CID 56526384) is N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide is O=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The InChIKey is GARVGHMLXVZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-17-8-6-15(7-9-17)21-26-22(30-27-21)16-3-2-11-28(14-16)12-10-20(29)25-19-5-1-4-18(24)13-19/h1,4-9,13,16H,2-3,10-12,14H2,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide has a molecular weight of 412.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 56526384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).