[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C22H26N2O5 — CID 8952106

IUPAC[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)N3CCN(C(C)=O)CC3)ccc2c1
InChIInChI=1S/C22H26N2O5/c1-15(17-4-5-19-13-20(28-3)7-6-18(19)12-17)22(27)29-14-21(26)24-10-8-23(9-11-24)16(2)25/h4-7,12-13,15H,8-11,14H2,1-3H3/t15-/m0/s1
InChIKeyCVRGACYBJHQHLR-HNNXBMFYSA-N
MW398.46 g/mol
LogP2.19
Rot. Bonds5

About [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952106) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952106
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)N3CCN(C(C)=O)CC3)ccc2c1
InChIInChI=1S/C22H26N2O5/c1-15(17-4-5-19-13-20(28-3)7-6-18(19)12-17)22(27)29-14-21(26)24-10-8-23(9-11-24)16(2)25/h4-7,12-13,15H,8-11,14H2,1-3H3/t15-/m0/s1
InChIKeyCVRGACYBJHQHLR-HNNXBMFYSA-N
XLogP2.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952003
2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 71300845
2-(4-butanoylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 13458859
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 57485094
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952106) is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)N3CCN(C(C)=O)CC3)ccc2c1.
What is the InChIKey of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is CVRGACYBJHQHLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(17-4-5-19-13-20(28-3)7-6-18(19)12-17)22(27)29-14-21(26)24-10-8-23(9-11-24)16(2)25/h4-7,12-13,15H,8-11,14H2,1-3H3/t15-/m0/s1.
What are the key properties of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 398.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).