4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

C18H24N4O2 — CID 172891261

IUPAC4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCOc1cccc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-20-7-6-15(12-18(20)23)13-21-8-10-22(11-9-21)14-16-4-3-5-17(19-16)24-2/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyBNUSMZRTACUHEB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.11
Rot. Bonds5

About 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 172891261) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID172891261
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCOc1cccc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-20-7-6-15(12-18(20)23)13-21-8-10-22(11-9-21)14-16-4-3-5-17(19-16)24-2/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyBNUSMZRTACUHEB-UHFFFAOYSA-N
XLogP1.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780
7-[(6-methoxy-2-pyridinyl)methyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922376
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 172891261) is 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is COc1cccc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)n1.
What is the InChIKey of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is BNUSMZRTACUHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-7-6-15(12-18(20)23)13-21-8-10-22(11-9-21)14-16-4-3-5-17(19-16)24-2/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 172891261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).