[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone

C19H18F2N6O — CID 154850090

IUPAC[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCCC1c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N6O/c20-13-7-8-15(16(21)11-13)17-6-1-2-9-27(17)18(28)12-4-3-5-14(10-12)22-19-23-25-26-24-19/h3-5,7-8,10-11,17H,1-2,6,9H2,(H2,22,23,24,25,26)
InChIKeyGWEUKTFSVHZFJQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.59
Rot. Bonds4

About [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone

[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone (PubChem CID 154850090) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
PubChem CID154850090
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCCC1c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N6O/c20-13-7-8-15(16(21)11-13)17-6-1-2-9-27(17)18(28)12-4-3-5-14(10-12)22-19-23-25-26-24-19/h3-5,7-8,10-11,17H,1-2,6,9H2,(H2,22,23,24,25,26)
InChIKeyGWEUKTFSVHZFJQ-UHFFFAOYSA-N
XLogP3.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)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

Related Compounds

pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 155954252
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-(2,4-difluorophenyl)piperidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 158337331
2-(2,4-difluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 154250205
[2-(4-fluorophenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70775438
5-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072161
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 54899661
(3-chlorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 5188678
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The IUPAC name of [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone (CID 154850090) is [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone is O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCCC1c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The InChIKey is GWEUKTFSVHZFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-13-7-8-15(16(21)11-13)17-6-1-2-9-27(17)18(28)12-4-3-5-14(10-12)22-19-23-25-26-24-19/h3-5,7-8,10-11,17H,1-2,6,9H2,(H2,22,23,24,25,26).
What are the key properties of [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone has a molecular weight of 384.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone is sourced from PubChem (CID 154850090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).