[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C20H20F2N6O — CID 24819549

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H20F2N6O/c21-18-8-7-16(10-19(18)22)24-17-2-1-9-27(12-17)20(29)15-5-3-14(4-6-15)11-28-13-23-25-26-28/h3-8,10,13,17,24H,1-2,9,11-12H2
InChIKeyBTELGUXZWHEUON-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.72
Rot. Bonds5

About [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 24819549) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID24819549
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H20F2N6O/c21-18-8-7-16(10-19(18)22)24-17-2-1-9-27(12-17)20(29)15-5-3-14(4-6-15)11-28-13-23-25-26-28/h3-8,10,13,17,24H,1-2,9,11-12H2
InChIKeyBTELGUXZWHEUON-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone 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 [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 24819549) is [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is BTELGUXZWHEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-18-8-7-16(10-19(18)22)24-17-2-1-9-27(12-17)20(29)15-5-3-14(4-6-15)11-28-13-23-25-26-28/h3-8,10,13,17,24H,1-2,9,11-12H2.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 398.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24819549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).