1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C17H33N3O2 — CID 111503768

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCC2(C)CO)CC(C)(C)N1
InChIInChI=1S/C17H33N3O2/c1-15(2)9-12(10-16(3,4)20-15)18-14(22)19-13-7-6-8-17(13,5)11-21/h12-13,20-21H,6-11H2,1-5H3,(H2,18,19,22)
InChIKeyRBLBAQZWLQVBDL-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 111503768) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID111503768
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCC2(C)CO)CC(C)(C)N1
InChIInChI=1S/C17H33N3O2/c1-15(2)9-12(10-16(3,4)20-15)18-14(22)19-13-7-6-8-17(13,5)11-21/h12-13,20-21H,6-11H2,1-5H3,(H2,18,19,22)
InChIKeyRBLBAQZWLQVBDL-UHFFFAOYSA-N
XLogP2.15
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 111504406
N-[2-(hydroxymethyl)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 110011970
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506485
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 111503768) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NC2CCCC2(C)CO)CC(C)(C)N1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is RBLBAQZWLQVBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-15(2)9-12(10-16(3,4)20-15)18-14(22)19-13-7-6-8-17(13,5)11-21/h12-13,20-21H,6-11H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 311.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 111503768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).