1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone

C20H22N6O2 — CID 56745916

IUPAC1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(C2(O)CCN(C(=O)C(c3ccccc3)n3cnnn3)CC2)nc1
InChIInChI=1S/C20H22N6O2/c1-15-7-8-17(21-13-15)20(28)9-11-25(12-10-20)19(27)18(26-14-22-23-24-26)16-5-3-2-4-6-16/h2-8,13-14,18,28H,9-12H2,1H3
InChIKeyIZBBMPIPWCRYTR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.48
Rot. Bonds4

About 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone

1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone (PubChem CID 56745916) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
PubChem CID56745916
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(C2(O)CCN(C(=O)C(c3ccccc3)n3cnnn3)CC2)nc1
InChIInChI=1S/C20H22N6O2/c1-15-7-8-17(21-13-15)20(28)9-11-25(12-10-20)19(27)18(26-14-22-23-24-26)16-5-3-2-4-6-16/h2-8,13-14,18,28H,9-12H2,1H3
InChIKeyIZBBMPIPWCRYTR-UHFFFAOYSA-N
XLogP1.48
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone (CID 56745916) is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone is Cc1ccc(C2(O)CCN(C(=O)C(c3ccccc3)n3cnnn3)CC2)nc1.
What is the InChIKey of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The InChIKey is IZBBMPIPWCRYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-7-8-17(21-13-15)20(28)9-11-25(12-10-20)19(27)18(26-14-22-23-24-26)16-5-3-2-4-6-16/h2-8,13-14,18,28H,9-12H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone has a molecular weight of 378.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 56745916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).