1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C16H24N4O3 — CID 3515033

IUPAC1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1
InChIInChI=1S/C16H24N4O3/c1-15(2)9-12(10-16(3,4)19-15)18-14(21)17-11-5-7-13(8-6-11)20(22)23/h5-8,12,19H,9-10H2,1-4H3,(H2,17,18,21)
InChIKeyCDWXRJAUZUERFH-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 3515033) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID3515033
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1
InChIInChI=1S/C16H24N4O3/c1-15(2)9-12(10-16(3,4)19-15)18-14(21)17-11-5-7-13(8-6-11)20(22)23/h5-8,12,19H,9-10H2,1-4H3,(H2,17,18,21)
InChIKeyCDWXRJAUZUERFH-UHFFFAOYSA-N
XLogP3.03
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
1-(4-Nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 2878808
N-[2-(dimethylamino)ethyl]-N'-(4-nitrophenyl)urea
CID 2954811
N-(4-nitrophenyl)piperidine-1-carboxamide
CID 270383
1,1-Diethyl-3-(4-nitrophenyl)urea
CID 270326
1-Cyclohexyl-3-(4-nitrophenyl)urea
CID 4299916
3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2955798
N-benzyl-N'-{2-[4-(4-nitrophenyl)-1-piperazinyl]ethyl}urea
CID 2958236
1-(4-Nitrophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783008
N-[2-(4-methylpiperazin-1-yl)ethyl]-N'-(2-nitrophenyl)urea
CID 24761371
N-cyclohexyl-N'-(2-methyl-3-nitrophenyl)urea
CID 952304
N-[2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-nitrophenyl)urea
CID 16193061

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 3515033) is 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is CDWXRJAUZUERFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-15(2)9-12(10-16(3,4)19-15)18-14(21)17-11-5-7-13(8-6-11)20(22)23/h5-8,12,19H,9-10H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 320.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 3515033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).