1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C22H35N3O — CID 1158600

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C22H35N3O/c1-15(2)16-10-9-11-17(12-16)22(7,8)24-19(26)23-18-13-20(3,4)25-21(5,6)14-18/h9-12,18,25H,1,13-14H2,2-8H3,(H2,23,24,26)
InChIKeyZHVMKRAQBNMRAZ-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.56
Rot. Bonds4

About 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 1158600) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID1158600
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C22H35N3O/c1-15(2)16-10-9-11-17(12-16)22(7,8)24-19(26)23-18-13-20(3,4)25-21(5,6)14-18/h9-12,18,25H,1,13-14H2,2-8H3,(H2,23,24,26)
InChIKeyZHVMKRAQBNMRAZ-UHFFFAOYSA-N
XLogP4.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 1158600) is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is C=C(C)c1cccc(C(C)(C)NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is ZHVMKRAQBNMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-15(2)16-10-9-11-17(12-16)22(7,8)24-19(26)23-18-13-20(3,4)25-21(5,6)14-18/h9-12,18,25H,1,13-14H2,2-8H3,(H2,23,24,26).
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 357.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 1158600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).