N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

C23H28FN3O4 — CID 18575688

IUPACN-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)NC1CCCC1
InChIInChI=1S/C23H28FN3O4/c24-19-7-3-4-8-20(19)27-11-9-26(10-12-27)14-18-13-21(28)22(15-30-18)31-16-23(29)25-17-5-1-2-6-17/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14,16H2,(H,25,29)
InChIKeyGZPAQDTUFXAVRE-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.54
Rot. Bonds7

About N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (PubChem CID 18575688) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
PubChem CID18575688
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC NameN-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)NC1CCCC1
InChIInChI=1S/C23H28FN3O4/c24-19-7-3-4-8-20(19)27-11-9-26(10-12-27)14-18-13-21(28)22(15-30-18)31-16-23(29)25-17-5-1-2-6-17/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14,16H2,(H,25,29)
InChIKeyGZPAQDTUFXAVRE-UHFFFAOYSA-N
XLogP2.54
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7292933
N-cyclopropyl-2-[6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 45494192
2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(3-nitrophenyl)acetamide
CID 16822777
5-[(2-fluorophenyl)methoxy]-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 7178644
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 44963129
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 16802982
(2R)-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyhexanoic acid
CID 7178499
2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
CID 51043639
2-[6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178576

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (CID 18575688) is N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is GZPAQDTUFXAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c24-19-7-3-4-8-20(19)27-11-9-26(10-12-27)14-18-13-21(28)22(15-30-18)31-16-23(29)25-17-5-1-2-6-17/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14,16H2,(H,25,29).
What are the key properties of N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 429.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 18575688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).