N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C18H25FN6O — CID 42190383

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN6O/c1-14-6-9-24(10-7-14)12-17-21-22-23-25(17)13-18(26)20-8-5-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,26)
InChIKeyMJYBXBRJYXRCSP-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 42190383) has the molecular formula C18H25FN6O and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID42190383
Molecular FormulaC18H25FN6O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN6O/c1-14-6-9-24(10-7-14)12-17-21-22-23-25(17)13-18(26)20-8-5-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,26)
InChIKeyMJYBXBRJYXRCSP-UHFFFAOYSA-N
XLogP1.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide 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-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 42190383) is N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CC1CCN(Cc2nnnn2CC(=O)NCCc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is MJYBXBRJYXRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O/c1-14-6-9-24(10-7-14)12-17-21-22-23-25(17)13-18(26)20-8-5-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,26).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42190383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).