1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone

C21H23FN6O — CID 69100873

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
SMILESO=C(CNc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)20(29)14-23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16,23H,8-12,14H2,(H,24,25,26,27)
InChIKeyRVQQWISCVCLYHK-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.90
Rot. Bonds6

About 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone (PubChem CID 69100873) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
PubChem CID69100873
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
SMILESO=C(CNc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)20(29)14-23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16,23H,8-12,14H2,(H,24,25,26,27)
InChIKeyRVQQWISCVCLYHK-UHFFFAOYSA-N
XLogP2.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone 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

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 69100605
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-5-ylamino)ethanone
CID 69099976
6-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-3H-1,3-benzothiazol-2-one
CID 69100048
5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
CID 10293201
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 167986639
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone (CID 69100873) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone is O=C(CNc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone?
The InChIKey is RVQQWISCVCLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)20(29)14-23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16,23H,8-12,14H2,(H,24,25,26,27).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone?
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone has a molecular weight of 394.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone is sourced from PubChem (CID 69100873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).