N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide

C16H21FN6O — CID 1445113

IUPACN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN6O/c1-12(24)18-15-6-8-22(9-7-15)11-16-19-20-21-23(16)10-13-2-4-14(17)5-3-13/h2-5,15H,6-11H2,1H3,(H,18,24)
InChIKeyMOEKYEKUWVEQEB-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.96
Rot. Bonds5

About N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 1445113) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID1445113
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC NameN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN6O/c1-12(24)18-15-6-8-22(9-7-15)11-16-19-20-21-23(16)10-13-2-4-14(17)5-3-13/h2-5,15H,6-11H2,1H3,(H,18,24)
InChIKeyMOEKYEKUWVEQEB-UHFFFAOYSA-N
XLogP0.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-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

Related Compounds

N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
2-amino-N-{(R)-1-[1-(2-butylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-3-phenyl-propyl}-2-methyl-propionamide
CID 44434016
1-[(4-Fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 16192879
1-{[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
N-[1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 654768
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazine
CID 655799
N-[1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 1445102
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6602546
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6603052
CID 16192910
CID 16192910

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide (CID 1445113) is N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is MOEKYEKUWVEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-12(24)18-15-6-8-22(9-7-15)11-16-19-20-21-23(16)10-13-2-4-14(17)5-3-13/h2-5,15H,6-11H2,1H3,(H,18,24).
What are the key properties of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 1445113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).