1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide

C21H21FN6O2 — CID 55993279

IUPAC1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-n3cnnn3)ccc2F)(c2ccccc2)CC1
InChIInChI=1S/C21H21FN6O2/c1-15(29)27-11-9-21(10-12-27,16-5-3-2-4-6-16)20(30)24-19-13-17(7-8-18(19)22)28-14-23-25-26-28/h2-8,13-14H,9-12H2,1H3,(H,24,30)
InChIKeyLGIKZXBJFQAWDC-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.32
Rot. Bonds4

About 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 55993279) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
PubChem CID55993279
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-n3cnnn3)ccc2F)(c2ccccc2)CC1
InChIInChI=1S/C21H21FN6O2/c1-15(29)27-11-9-21(10-12-27,16-5-3-2-4-6-16)20(30)24-19-13-17(7-8-18(19)22)28-14-23-25-26-28/h2-8,13-14H,9-12H2,1H3,(H,24,30)
InChIKeyLGIKZXBJFQAWDC-UHFFFAOYSA-N
XLogP2.32
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-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

1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 55813866
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 166276211
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide (CID 55993279) is 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(-n3cnnn3)ccc2F)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is LGIKZXBJFQAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-15(29)27-11-9-21(10-12-27,16-5-3-2-4-6-16)20(30)24-19-13-17(7-8-18(19)22)28-14-23-25-26-28/h2-8,13-14H,9-12H2,1H3,(H,24,30).
What are the key properties of 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).