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

C23H23ClF3N5O2 — CID 57392511

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C23H23ClF3N5O2/c24-17-6-4-15(5-7-17)20(23(25,26)27)29-19(33)10-14-32-12-8-16(9-13-32)22-30-21(31-34-22)18-3-1-2-11-28-18/h1-7,11,16,20H,8-10,12-14H2,(H,29,33)
InChIKeyNQQTZHAMXOGMOP-UHFFFAOYSA-N
MW493.92 g/mol
LogP4.77
Rot. Bonds7

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

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57392511) has the molecular formula C23H23ClF3N5O2 and a molecular weight of 493.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57392511
Molecular FormulaC23H23ClF3N5O2
Molecular Weight493.92 g/mol
Exact Mass493.15
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C23H23ClF3N5O2/c24-17-6-4-15(5-7-17)20(23(25,26)27)29-19(33)10-14-32-12-8-16(9-13-32)22-30-21(31-34-22)18-3-1-2-11-28-18/h1-7,11,16,20H,8-10,12-14H2,(H,29,33)
InChIKeyNQQTZHAMXOGMOP-UHFFFAOYSA-N
XLogP4.77
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57392511) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is NQQTZHAMXOGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O2/c24-17-6-4-15(5-7-17)20(23(25,26)27)29-19(33)10-14-32-12-8-16(9-13-32)22-30-21(31-34-22)18-3-1-2-11-28-18/h1-7,11,16,20H,8-10,12-14H2,(H,29,33).
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 493.92 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57392511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).