(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione

C14H16N2O3 — CID 142166985

IUPAC(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione
SMILESCC(=O)c1ccc(C[C@H]2C(=O)NCC(=O)N2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)11-5-3-10(4-6-11)7-12-14(19)15-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyMQUMXQZQBNSCAC-LBPRGKRZSA-N
MW260.29 g/mol
LogP0.39
Rot. Bonds3

About (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione

(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione (PubChem CID 142166985) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione
PubChem CID142166985
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione
SMILESCC(=O)c1ccc(C[C@H]2C(=O)NCC(=O)N2C)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)11-5-3-10(4-6-11)7-12-14(19)15-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyMQUMXQZQBNSCAC-LBPRGKRZSA-N
XLogP0.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881451
5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione
CID 82390134
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
(5S)-1-acetyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 56949629
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048
(3R,6S,12S,14E,16S,18R)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(hydroxymethyl)-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
CID 163023672
(3S,6R,12S,14E,16R,18S)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3-(hydroxymethyl)-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
CID 163151387
(3S,6R,12S,14E,16R,18S)-6-[(3-chloro-4-hydroxyphenyl)methyl]-3-(hydroxymethyl)-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
CID 163132237
6-tert-butyl-1-methylpiperazine-2,5-dione
CID 64881639
(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 163926040

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione?
The IUPAC name of (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione (CID 142166985) is (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione?
The canonical SMILES for (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione is CC(=O)c1ccc(C[C@H]2C(=O)NCC(=O)N2C)cc1.
What is the InChIKey of (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione?
The InChIKey is MQUMXQZQBNSCAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)11-5-3-10(4-6-11)7-12-14(19)15-8-13(18)16(12)2/h3-6,12H,7-8H2,1-2H3,(H,15,19)/t12-/m0/s1.
What are the key properties of (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione?
(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione has a molecular weight of 260.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 142166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).