N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide

C24H27N5O3 — CID 68688283

IUPACN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C24H27N5O3/c1-2-21(30)25-18-10-8-9-17(15-18)23-26-24(28-27-23)20-13-6-7-14-29(20)22(31)16-32-19-11-4-3-5-12-19/h3-5,8-12,15,20H,2,6-7,13-14,16H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1
InChIKeyUMHXSIROGJZGSZ-HXUWFJFHSA-N
MW433.51 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide

N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide (PubChem CID 68688283) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide
PubChem CID68688283
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C24H27N5O3/c1-2-21(30)25-18-10-8-9-17(15-18)23-26-24(28-27-23)20-13-6-7-14-29(20)22(31)16-32-19-11-4-3-5-12-19/h3-5,8-12,15,20H,2,6-7,13-14,16H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1
InChIKeyUMHXSIROGJZGSZ-HXUWFJFHSA-N
XLogP3.95
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide (CID 68688283) is N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide?
The InChIKey is UMHXSIROGJZGSZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-21(30)25-18-10-8-9-17(15-18)23-26-24(28-27-23)20-13-6-7-14-29(20)22(31)16-32-19-11-4-3-5-12-19/h3-5,8-12,15,20H,2,6-7,13-14,16H2,1H3,(H,25,30)(H,26,27,28)/t20-/m1/s1.
What are the key properties of N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide?
N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 68688283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).