[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid

C17H20N4O2 — CID 67136657

IUPAC[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(23)18-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)14-4-2-1-3-5-14/h1-7,13,18H,8-12H2,(H,22,23)
InChIKeyGPOJDYXIKUTQDE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds4

About [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid

[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid (PubChem CID 67136657) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid
PubChem CID67136657
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(23)18-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)14-4-2-1-3-5-14/h1-7,13,18H,8-12H2,(H,22,23)
InChIKeyGPOJDYXIKUTQDE-UHFFFAOYSA-N
XLogP2.63
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid (CID 67136657) is [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is GPOJDYXIKUTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(23)18-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)14-4-2-1-3-5-14/h1-7,13,18H,8-12H2,(H,22,23).
What are the key properties of [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid?
[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 312.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 67136657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).