3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C18H21N3O2 — CID 35951602

IUPAC3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-17-9-8-16(19-20-17)18(23)21-12-10-15(11-13-21)7-6-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,20,22)
InChIKeyBOORAZUAJMPVTH-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.25
Rot. Bonds4

About 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 35951602) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID35951602
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-17-9-8-16(19-20-17)18(23)21-12-10-15(11-13-21)7-6-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,20,22)
InChIKeyBOORAZUAJMPVTH-UHFFFAOYSA-N
XLogP2.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 35951602) is 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is BOORAZUAJMPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-9-8-16(19-20-17)18(23)21-12-10-15(11-13-21)7-6-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,20,22).
What are the key properties of 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 311.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 35951602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).