4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one

C17H26N4O2 — CID 175649513

IUPAC4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2CCN(CC3CC(=O)N(C)C3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-15(9-17(19)22)13-21-7-5-20(6-8-21)12-14-3-4-16(23-2)18-10-14/h3-4,10,15H,5-9,11-13H2,1-2H3
InChIKeyROBDIVOFCYSVEN-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.69
Rot. Bonds5

About 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one

4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 175649513) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID175649513
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2CCN(CC3CC(=O)N(C)C3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-15(9-17(19)22)13-21-7-5-20(6-8-21)12-14-3-4-16(23-2)18-10-14/h3-4,10,15H,5-9,11-13H2,1-2H3
InChIKeyROBDIVOFCYSVEN-UHFFFAOYSA-N
XLogP0.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(8aS)-7-[(6-methoxy-3-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75537041
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134707551
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
(8aR)-7-[(6-methoxy-3-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368683
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 175649513) is 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one is COc1ccc(CN2CCN(CC3CC(=O)N(C)C3)CC2)cn1.
What is the InChIKey of 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is ROBDIVOFCYSVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-11-15(9-17(19)22)13-21-7-5-20(6-8-21)12-14-3-4-16(23-2)18-10-14/h3-4,10,15H,5-9,11-13H2,1-2H3.
What are the key properties of 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 175649513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).