[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C18H19N7O2 — CID 77088920

IUPAC[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1
InChIInChI=1S/C18H19N7O2/c1-12-9-19-10-20-17(12)13-4-6-24(7-5-13)18(27)15-3-2-14(8-16(15)26)25-11-21-22-23-25/h2-3,8-11,13,26H,4-7H2,1H3
InChIKeyMUOSCPAYVOJHCX-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.49
Rot. Bonds3

About [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 77088920) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID77088920
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1
InChIInChI=1S/C18H19N7O2/c1-12-9-19-10-20-17(12)13-4-6-24(7-5-13)18(27)15-3-2-14(8-16(15)26)25-11-21-22-23-25/h2-3,8-11,13,26H,4-7H2,1H3
InChIKeyMUOSCPAYVOJHCX-UHFFFAOYSA-N
XLogP1.49
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 77088920) is [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1cncnc1C1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1.
What is the InChIKey of [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is MUOSCPAYVOJHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-12-9-19-10-20-17(12)13-4-6-24(7-5-13)18(27)15-3-2-14(8-16(15)26)25-11-21-22-23-25/h2-3,8-11,13,26H,4-7H2,1H3.
What are the key properties of [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
[2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 365.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(tetrazol-1-yl)phenyl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 77088920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).