2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea

C20H26N4O2 — CID 59693731

IUPAC2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea
SMILESCN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC(N)=O
InChIInChI=1S/C20H26N4O2/c1-23-12-13-24(19(25)18(23)8-10-22-20(21)26)11-9-15-6-7-16-4-2-3-5-17(16)14-15/h2-7,14,18H,8-13H2,1H3,(H3,21,22,26)/t18-/m0/s1
InChIKeyMYUGOFVKPMYSLR-SFHVURJKSA-N
MW354.45 g/mol
LogP1.58
Rot. Bonds6

About 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea

2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea (PubChem CID 59693731) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea.

Molecular Properties

Compound Name2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea
PubChem CID59693731
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea
SMILESCN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC(N)=O
InChIInChI=1S/C20H26N4O2/c1-23-12-13-24(19(25)18(23)8-10-22-20(21)26)11-9-15-6-7-16-4-2-3-5-17(16)14-15/h2-7,14,18H,8-13H2,1H3,(H3,21,22,26)/t18-/m0/s1
InChIKeyMYUGOFVKPMYSLR-SFHVURJKSA-N
XLogP1.58
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea?
The IUPAC name of 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea (CID 59693731) is 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea.
What is the SMILES notation for 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea?
The canonical SMILES for 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea is CN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC(N)=O.
What is the InChIKey of 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea?
The InChIKey is MYUGOFVKPMYSLR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-12-13-24(19(25)18(23)8-10-22-20(21)26)11-9-15-6-7-16-4-2-3-5-17(16)14-15/h2-7,14,18H,8-13H2,1H3,(H3,21,22,26)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea?
2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea has a molecular weight of 354.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea is sourced from PubChem (CID 59693731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).