2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C24H32N2O4 — CID 71300845

IUPAC2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCCC(=O)N1CCN(CCOC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C24H32N2O4/c1-4-5-23(27)26-12-10-25(11-13-26)14-15-30-24(28)18(2)19-6-7-21-17-22(29-3)9-8-20(21)16-19/h6-9,16-18H,4-5,10-15H2,1-3H3/t18-/m0/s1
InChIKeyXXXVSLJSKOMLRJ-SFHVURJKSA-N
MW412.53 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 71300845) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID71300845
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCCC(=O)N1CCN(CCOC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C24H32N2O4/c1-4-5-23(27)26-12-10-25(11-13-26)14-15-30-24(28)18(2)19-6-7-21-17-22(29-3)9-8-20(21)16-19/h6-9,16-18H,4-5,10-15H2,1-3H3/t18-/m0/s1
InChIKeyXXXVSLJSKOMLRJ-SFHVURJKSA-N
XLogP3.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butanoylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 13458859
methanesulfonic acid;2-piperazin-1-ylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 71300829
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;hydrochloride
CID 71300842
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952106
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 141129252
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147

Frequently Asked Questions

What is the IUPAC name of 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 71300845) is 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is CCCC(=O)N1CCN(CCOC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1.
What is the InChIKey of 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is XXXVSLJSKOMLRJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-5-23(27)26-12-10-25(11-13-26)14-15-30-24(28)18(2)19-6-7-21-17-22(29-3)9-8-20(21)16-19/h6-9,16-18H,4-5,10-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 412.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 71300845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).