N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide

C27H34FN5O2 — CID 21098208

IUPACN-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C27H34FN5O2/c1-35-18-14-27(34)30-25(22-5-3-2-4-6-22)13-17-32-15-11-24(12-16-32)33-20-29-26(31-33)19-21-7-9-23(28)10-8-21/h2-10,20,24-25H,11-19H2,1H3,(H,30,34)
InChIKeyYXBYUXARDWFTTE-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.93
Rot. Bonds11

About N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide

N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide (PubChem CID 21098208) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide
PubChem CID21098208
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC NameN-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C27H34FN5O2/c1-35-18-14-27(34)30-25(22-5-3-2-4-6-22)13-17-32-15-11-24(12-16-32)33-20-29-26(31-33)19-21-7-9-23(28)10-8-21/h2-10,20,24-25H,11-19H2,1H3,(H,30,34)
InChIKeyYXBYUXARDWFTTE-UHFFFAOYSA-N
XLogP3.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide 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-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide?
The IUPAC name of N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide (CID 21098208) is N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide is COCCC(=O)NC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1.
What is the InChIKey of N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide?
The InChIKey is YXBYUXARDWFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-35-18-14-27(34)30-25(22-5-3-2-4-6-22)13-17-32-15-11-24(12-16-32)33-20-29-26(31-33)19-21-7-9-23(28)10-8-21/h2-10,20,24-25H,11-19H2,1H3,(H,30,34).
What are the key properties of N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide?
N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide has a molecular weight of 479.60 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]piperidin-1-yl]-1-phenylpropyl]-3-methoxypropanamide is sourced from PubChem (CID 21098208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).