2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one

C19H19ClN2O5 — CID 42227134

IUPAC2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)CC1
InChIInChI=1S/C19H19ClN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFSSWUWACVRFPGB-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one

2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one (PubChem CID 42227134) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
PubChem CID42227134
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)CC1
InChIInChI=1S/C19H19ClN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFSSWUWACVRFPGB-UHFFFAOYSA-N
XLogP2.18
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methoxy]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyran-4-one
CID 42227041
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 82063981
5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
methyl (2R)-2-[[5-[(3,4-dichlorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]propanoate
CID 124661591
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006
5-[(4-chlorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16810514
5-[(4-fluorophenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one
CID 46084002
2-[(4-chlorophenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methoxy]pyran-4-one
CID 138542850

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one (CID 42227134) is 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one is CC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one?
The InChIKey is FSSWUWACVRFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one?
2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one has a molecular weight of 390.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one is sourced from PubChem (CID 42227134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).