N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide

C24H27N5O2 — CID 648698

IUPACN-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C24H27N5O2/c1-2-21(30)25-20-13-11-18(12-14-20)23-26-24(19-9-5-3-6-10-19)29(27-23)17-22(31)28-15-7-4-8-16-28/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H,25,30)
InChIKeyFAQNUXVWLDWEEL-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.97
Rot. Bonds6

About N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide

N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide (PubChem CID 648698) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide
PubChem CID648698
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C24H27N5O2/c1-2-21(30)25-20-13-11-18(12-14-20)23-26-24(19-9-5-3-6-10-19)29(27-23)17-22(31)28-15-7-4-8-16-28/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H,25,30)
InChIKeyFAQNUXVWLDWEEL-UHFFFAOYSA-N
XLogP3.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide (CID 648698) is N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide?
The InChIKey is FAQNUXVWLDWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-21(30)25-20-13-11-18(12-14-20)23-26-24(19-9-5-3-6-10-19)29(27-23)17-22(31)28-15-7-4-8-16-28/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H,25,30).
What are the key properties of N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide?
N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-oxo-2-piperidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 648698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).