6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C22H27FN4O3 — CID 90616850

IUPAC6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)ccc1=O
InChIInChI=1S/C22H27FN4O3/c1-25-21(28)7-6-19(24-25)22(29)27-12-8-16(9-13-27)26-14-10-17(11-15-26)30-20-5-3-2-4-18(20)23/h2-7,16-17H,8-15H2,1H3
InChIKeyJRXIXPVLCNMDKM-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.07
Rot. Bonds4

About 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 90616850) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID90616850
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)ccc1=O
InChIInChI=1S/C22H27FN4O3/c1-25-21(28)7-6-19(24-25)22(29)27-12-8-16(9-13-27)26-14-10-17(11-15-26)30-20-5-3-2-4-18(20)23/h2-7,16-17H,8-15H2,1H3
InChIKeyJRXIXPVLCNMDKM-UHFFFAOYSA-N
XLogP2.07
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 90616850) is 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)ccc1=O.
What is the InChIKey of 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is JRXIXPVLCNMDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-25-21(28)7-6-19(24-25)22(29)27-12-8-16(9-13-27)26-14-10-17(11-15-26)30-20-5-3-2-4-18(20)23/h2-7,16-17H,8-15H2,1H3.
What are the key properties of 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 414.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 90616850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).