N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide

C23H25FN6O2 — CID 55778982

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C23H25FN6O2/c24-21-4-2-1-3-18(21)9-12-25-23(32)19-10-13-29(14-11-19)22(31)15-17-5-7-20(8-6-17)30-16-26-27-28-30/h1-8,16,19H,9-15H2,(H,25,32)
InChIKeyRKVMGLWTIZGLKH-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide (PubChem CID 55778982) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
PubChem CID55778982
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C23H25FN6O2/c24-21-4-2-1-3-18(21)9-12-25-23(32)19-10-13-29(14-11-19)22(31)15-17-5-7-20(8-6-17)30-16-26-27-28-30/h1-8,16,19H,9-15H2,(H,25,32)
InChIKeyRKVMGLWTIZGLKH-UHFFFAOYSA-N
XLogP1.94
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide 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-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778987
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide (CID 55778982) is N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
The InChIKey is RKVMGLWTIZGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-21-4-2-1-3-18(21)9-12-25-23(32)19-10-13-29(14-11-19)22(31)15-17-5-7-20(8-6-17)30-16-26-27-28-30/h1-8,16,19H,9-15H2,(H,25,32).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55778982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).