1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C20H33N3O — CID 33424524

IUPAC1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-14(2)17(15-10-8-7-9-11-15)22-18(24)21-16-12-19(3,4)23-20(5,6)13-16/h7-11,14,16-17,23H,12-13H2,1-6H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyRHUQTNAQBJSWMH-QGZVFWFLSA-N
MW331.50 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 33424524) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID33424524
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-14(2)17(15-10-8-7-9-11-15)22-18(24)21-16-12-19(3,4)23-20(5,6)13-16/h7-11,14,16-17,23H,12-13H2,1-6H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyRHUQTNAQBJSWMH-QGZVFWFLSA-N
XLogP3.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425430
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
N-methyl-4-[[(1S)-2-methyl-1-phenylpropyl]carbamoylamino]cyclohexane-1-carboxamide
CID 95041316
1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 51168578
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 33424524) is 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC(C)[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is RHUQTNAQBJSWMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N3O/c1-14(2)17(15-10-8-7-9-11-15)22-18(24)21-16-12-19(3,4)23-20(5,6)13-16/h7-11,14,16-17,23H,12-13H2,1-6H3,(H2,21,22,24)/t17-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 331.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 33424524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).