1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea

C15H22N4O2 — CID 110371190

IUPAC1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17(2)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21)
InChIKeyINIMJIRQXLLDCX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.61
Rot. Bonds3

About 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea

1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 110371190) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID110371190
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17(2)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21)
InChIKeyINIMJIRQXLLDCX-UHFFFAOYSA-N
XLogP0.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
CID 90651702
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 110961891
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
1-benzyl-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953222
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 110371190) is 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea is CN(C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is INIMJIRQXLLDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(2)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21).
What are the key properties of 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea?
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 290.37 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 110371190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).