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

C23H26FN5O2 — CID 57399452

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O2/c1-16(17-5-7-19(24)8-6-17)26-21(30)11-15-29-13-9-18(10-14-29)23-27-22(28-31-23)20-4-2-3-12-25-20/h2-8,12,16,18H,9-11,13-15H2,1H3,(H,26,30)/t16-/m0/s1
InChIKeyFHBSEAZXOOCQCK-INIZCTEOSA-N
MW423.49 g/mol
LogP3.72
Rot. Bonds7

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57399452) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57399452
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O2/c1-16(17-5-7-19(24)8-6-17)26-21(30)11-15-29-13-9-18(10-14-29)23-27-22(28-31-23)20-4-2-3-12-25-20/h2-8,12,16,18H,9-11,13-15H2,1H3,(H,26,30)/t16-/m0/s1
InChIKeyFHBSEAZXOOCQCK-INIZCTEOSA-N
XLogP3.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57399452) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is C[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is FHBSEAZXOOCQCK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16(17-5-7-19(24)8-6-17)26-21(30)11-15-29-13-9-18(10-14-29)23-27-22(28-31-23)20-4-2-3-12-25-20/h2-8,12,16,18H,9-11,13-15H2,1H3,(H,26,30)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 423.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57399452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).