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

C13H13F2N5O — CID 110196477

IUPAC(2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H13F2N5O/c14-9-3-4-11(15)10(6-9)13(21)20-5-1-2-8(7-20)12-16-18-19-17-12/h3-4,6,8H,1-2,5,7H2,(H,16,17,18,19)
InChIKeyNQFZEJQPWRBYAQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.50
Rot. Bonds2

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

(2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196477) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196477
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name(2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H13F2N5O/c14-9-3-4-11(15)10(6-9)13(21)20-5-1-2-8(7-20)12-16-18-19-17-12/h3-4,6,8H,1-2,5,7H2,(H,16,17,18,19)
InChIKeyNQFZEJQPWRBYAQ-UHFFFAOYSA-N
XLogP1.50
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44384935
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-3-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44385158
(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 71911473
2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71920443
(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 110196482
1-Benzoyl-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196497
1-(4-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196504
1-(2-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196505
1-(3-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196506
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(2H-tetrazol-5-yl)butyl]benzamide
CID 118732059
1-benzoyl-3-(1H-1,2,3,4-tetrazol-5-yl)piperidine
CID 110196473
1-(3-Methylbenzoyl)-3-(1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196480

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196477) is (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc(F)ccc1F)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is NQFZEJQPWRBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c14-9-3-4-11(15)10(6-9)13(21)20-5-1-2-8(7-20)12-16-18-19-17-12/h3-4,6,8H,1-2,5,7H2,(H,16,17,18,19).
What are the key properties of (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 293.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).