1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione

C14H19N3O2 — CID 79936590

IUPAC1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
SMILESCNC(CN1CC(=O)N(C)CC1=O)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-15-12(11-6-4-3-5-7-11)8-17-10-13(18)16(2)9-14(17)19/h3-7,12,15H,8-10H2,1-2H3
InChIKeyVPNLNWCQMSLJNT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.25
Rot. Bonds4

About 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione

1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione (PubChem CID 79936590) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
PubChem CID79936590
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
SMILESCNC(CN1CC(=O)N(C)CC1=O)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-15-12(11-6-4-3-5-7-11)8-17-10-13(18)16(2)9-14(17)19/h3-7,12,15H,8-10H2,1-2H3
InChIKeyVPNLNWCQMSLJNT-UHFFFAOYSA-N
XLogP0.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
CID 79936916
1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936977
1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
CID 79937209
1,7,13-tris(3-aminopropyl)-4,10,16-tris(2,2-diphenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 46866597
1-(3-bromo-2-phenylpropyl)-4-ethylpiperazine-2,5-dione
CID 79936907
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62851014
6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62923540
1-[(2-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936217
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one
CID 62491482
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The IUPAC name of 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione (CID 79936590) is 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione is CNC(CN1CC(=O)N(C)CC1=O)c1ccccc1.
What is the InChIKey of 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The InChIKey is VPNLNWCQMSLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-12(11-6-4-3-5-7-11)8-17-10-13(18)16(2)9-14(17)19/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione is sourced from PubChem (CID 79936590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).