2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid

C18H22N4O2 — CID 67136783

IUPAC2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(24)19-11-8-14-9-12-22(13-10-14)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2,(H,23,24)
InChIKeyPIVSDLVHSBRPMB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds5

About 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67136783) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67136783
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(24)19-11-8-14-9-12-22(13-10-14)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2,(H,23,24)
InChIKeyPIVSDLVHSBRPMB-UHFFFAOYSA-N
XLogP3.02
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid (CID 67136783) is 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid is O=C(O)NCCC1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is PIVSDLVHSBRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(24)19-11-8-14-9-12-22(13-10-14)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2,(H,23,24).
What are the key properties of 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 326.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67136783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).