N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C24H28FN5O — CID 137498606

IUPACN-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1cn(-c2ccc(F)cc2)nn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28FN5O/c1-2-24(31)30(23-18-29(27-26-23)21-10-8-20(25)9-11-21)22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,2,12-17H2,1H3
InChIKeyOPLWFHOZNRUHHK-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.86
Rot. Bonds7

About N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 137498606) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID137498606
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1cn(-c2ccc(F)cc2)nn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28FN5O/c1-2-24(31)30(23-18-29(27-26-23)21-10-8-20(25)9-11-21)22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,2,12-17H2,1H3
InChIKeyOPLWFHOZNRUHHK-UHFFFAOYSA-N
XLogP3.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 137498606) is N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1cn(-c2ccc(F)cc2)nn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is OPLWFHOZNRUHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-2-24(31)30(23-18-29(27-26-23)21-10-8-20(25)9-11-21)22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,2,12-17H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 421.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 137498606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).