N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

C21H23Cl2N3O4 — CID 45494192

IUPACN-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1=O)NC1CC1
InChIInChI=1S/C21H23Cl2N3O4/c22-17-4-3-15(9-18(17)23)26-7-5-25(6-8-26)11-16-10-19(27)20(12-29-16)30-13-21(28)24-14-1-2-14/h3-4,9-10,12,14H,1-2,5-8,11,13H2,(H,24,28)
InChIKeyYGUHOUGCTMNDHZ-UHFFFAOYSA-N
MW452.34 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (PubChem CID 45494192) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
PubChem CID45494192
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC NameN-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1=O)NC1CC1
InChIInChI=1S/C21H23Cl2N3O4/c22-17-4-3-15(9-18(17)23)26-7-5-25(6-8-26)11-16-10-19(27)20(12-29-16)30-13-21(28)24-14-1-2-14/h3-4,9-10,12,14H,1-2,5-8,11,13H2,(H,24,28)
InChIKeyYGUHOUGCTMNDHZ-UHFFFAOYSA-N
XLogP2.93
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 18575688
N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7292933
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41184730
5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 16803012
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N,N-di(propan-2-yl)acetamide
CID 18575721
N-(2,3-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 16802988
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one
CID 135151972
N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51052882
5-[(4-chlorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16810514
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[2-(4-methoxyphenyl)-2-oxoethoxy]pyran-4-one
CID 44898221
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (CID 45494192) is N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is YGUHOUGCTMNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c22-17-4-3-15(9-18(17)23)26-7-5-25(6-8-26)11-16-10-19(27)20(12-29-16)30-13-21(28)24-14-1-2-14/h3-4,9-10,12,14H,1-2,5-8,11,13H2,(H,24,28).
What are the key properties of N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 452.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 45494192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).