2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide

C20H25N3O4 — CID 7292997

IUPAC2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H25N3O4/c1-21-20(25)15-27-19-14-26-17(11-18(19)24)13-23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,21,25)
InChIKeyRZCRBAHAQJAXBF-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.08
Rot. Bonds7

About 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide

2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide (PubChem CID 7292997) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide
PubChem CID7292997
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H25N3O4/c1-21-20(25)15-27-19-14-26-17(11-18(19)24)13-23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,21,25)
InChIKeyRZCRBAHAQJAXBF-UHFFFAOYSA-N
XLogP1.08
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide
CID 7293003
2-((6-((4-benzylpiperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-isopropylacetamide
CID 7293009
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7293033
(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 44535363
LDHA/PDKs-IN-1
CID 162648711
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6467807
2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-(2-methoxyethyl)acetamide
CID 7293021
ethyl 2-[2-({6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)acetamido]acetate
CID 16832811
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-tert-butylacetamide
CID 7293015
N-(2-fluorobenzyl)-3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]piperidin-3-yl}propanamide
CID 16187645
3-[2-(4-Benzoylpiperazin-1-yl)ethoxy]-2-methylpyran-4-one
CID 162643961
3-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
CID 162645879

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide (CID 7292997) is 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide is CNC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide?
The InChIKey is RZCRBAHAQJAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-21-20(25)15-27-19-14-26-17(11-18(19)24)13-23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,21,25).
What are the key properties of 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide?
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide has a molecular weight of 371.44 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 7292997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).