1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one

C20H25N3O3 — CID 97282208

IUPAC1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C20H25N3O3/c1-3-4-8-17-20(26)21(2)12-13-22(17)19(25)14-23-16-9-6-5-7-15(16)10-11-18(23)24/h5-7,9-11,17H,3-4,8,12-14H2,1-2H3/t17-/m0/s1
InChIKeyHDWJEWSMEVVQLW-KRWDZBQOSA-N
MW355.44 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one

1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one (PubChem CID 97282208) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one
PubChem CID97282208
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C20H25N3O3/c1-3-4-8-17-20(26)21(2)12-13-22(17)19(25)14-23-16-9-6-5-7-15(16)10-11-18(23)24/h5-7,9-11,17H,3-4,8,12-14H2,1-2H3/t17-/m0/s1
InChIKeyHDWJEWSMEVVQLW-KRWDZBQOSA-N
XLogP1.86
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one?
The IUPAC name of 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one (CID 97282208) is 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one is CCCC[C@H]1C(=O)N(C)CCN1C(=O)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one?
The InChIKey is HDWJEWSMEVVQLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-4-8-17-20(26)21(2)12-13-22(17)19(25)14-23-16-9-6-5-7-15(16)10-11-18(23)24/h5-7,9-11,17H,3-4,8,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one?
1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one is sourced from PubChem (CID 97282208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).