1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

C21H22F2N6O2 — CID 25396107

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H22F2N6O2/c22-21(23)31-19-7-1-15(2-8-19)13-28-11-9-16(10-12-28)20(30)25-17-3-5-18(6-4-17)29-14-24-26-27-29/h1-8,14,16,21H,9-13H2,(H,25,30)
InChIKeyAFAPJAYXMXOMFP-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.11
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 25396107) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID25396107
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H22F2N6O2/c22-21(23)31-19-7-1-15(2-8-19)13-28-11-9-16(10-12-28)20(30)25-17-3-5-18(6-4-17)29-14-24-26-27-29/h1-8,14,16,21H,9-13H2,(H,25,30)
InChIKeyAFAPJAYXMXOMFP-UHFFFAOYSA-N
XLogP3.11
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 25396107) is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is AFAPJAYXMXOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c22-21(23)31-19-7-1-15(2-8-19)13-28-11-9-16(10-12-28)20(30)25-17-3-5-18(6-4-17)29-14-24-26-27-29/h1-8,14,16,21H,9-13H2,(H,25,30).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25396107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).