1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C22H35N5O2 — CID 154834109

IUPAC1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC(C)(C)N1
InChIInChI=1S/C22H35N5O2/c1-21(2)14-17(15-22(3,4)25-21)24-20(29)23-16-19(28)27-12-10-26(11-13-27)18-8-6-5-7-9-18/h5-9,17,25H,10-16H2,1-4H3,(H2,23,24,29)
InChIKeySXCCLYDVYJZPPN-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.94
Rot. Bonds4

About 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 154834109) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID154834109
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC(C)(C)N1
InChIInChI=1S/C22H35N5O2/c1-21(2)14-17(15-22(3,4)25-21)24-20(29)23-16-19(28)27-12-10-26(11-13-27)18-8-6-5-7-9-18/h5-9,17,25H,10-16H2,1-4H3,(H2,23,24,29)
InChIKeySXCCLYDVYJZPPN-UHFFFAOYSA-N
XLogP1.94
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea with MolForge

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Related Compounds

1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-(1,3-dithiolan-2-ylmethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 155952532
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
CID 124530236
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
1-[2-[(S)-methylsulfinyl]phenyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 96522754
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 51717134
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319159
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 154834109) is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC(C)(C)N1.
What is the InChIKey of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is SXCCLYDVYJZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-21(2)14-17(15-22(3,4)25-21)24-20(29)23-16-19(28)27-12-10-26(11-13-27)18-8-6-5-7-9-18/h5-9,17,25H,10-16H2,1-4H3,(H2,23,24,29).
What are the key properties of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 401.56 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 154834109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).