5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one

C26H27ClN2O5 — CID 46084044

IUPAC5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one
SMILESCCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1
InChIInChI=1S/C26H27ClN2O5/c1-2-32-24-10-6-4-8-21(24)26(31)29-13-11-28(12-14-29)16-20-15-23(30)25(18-33-20)34-17-19-7-3-5-9-22(19)27/h3-10,15,18H,2,11-14,16-17H2,1H3
InChIKeyADPPANGYZBVZEG-UHFFFAOYSA-N
MW482.96 g/mol
LogP4.23
Rot. Bonds8

About 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one

5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one (PubChem CID 46084044) has the molecular formula C26H27ClN2O5 and a molecular weight of 482.96 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one
PubChem CID46084044
Molecular FormulaC26H27ClN2O5
Molecular Weight482.96 g/mol
Exact Mass482.16
IUPAC Name5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one
SMILESCCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1
InChIInChI=1S/C26H27ClN2O5/c1-2-32-24-10-6-4-8-21(24)26(31)29-13-11-28(12-14-29)16-20-15-23(30)25(18-33-20)34-17-19-7-3-5-9-22(19)27/h3-10,15,18H,2,11-14,16-17H2,1H3
InChIKeyADPPANGYZBVZEG-UHFFFAOYSA-N
XLogP4.23
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.96
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(5-chloro-1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one
CID 92760992
2-[[4-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one
CID 46084049
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
5-[(2-chlorophenyl)methoxy]-2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]pyran-4-one
CID 92761669
5-[(2-chlorophenyl)methoxy]-2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]pyran-4-one
CID 46084039
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
CID 7541832
4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38724959

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one (CID 46084044) is 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one is CCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The InChIKey is ADPPANGYZBVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O5/c1-2-32-24-10-6-4-8-21(24)26(31)29-13-11-28(12-14-29)16-20-15-23(30)25(18-33-20)34-17-19-7-3-5-9-22(19)27/h3-10,15,18H,2,11-14,16-17H2,1H3.
What are the key properties of 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one?
5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one has a molecular weight of 482.96 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 46084044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).