3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea

C24H32N4O3 — CID 24732195

IUPAC3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
SMILESCOCCN(C(=O)Nc1cccc(C(C)=O)c1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H32N4O3/c1-19(29)20-6-5-8-22(18-20)26-24(30)28(16-17-31-2)23-10-14-27(15-11-23)13-9-21-7-3-4-12-25-21/h3-8,12,18,23H,9-11,13-17H2,1-2H3,(H,26,30)
InChIKeySWAYRJKVBIESHO-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.47
Rot. Bonds9

About 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea

3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea (PubChem CID 24732195) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
PubChem CID24732195
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
SMILESCOCCN(C(=O)Nc1cccc(C(C)=O)c1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H32N4O3/c1-19(29)20-6-5-8-22(18-20)26-24(30)28(16-17-31-2)23-10-14-27(15-11-23)13-9-21-7-3-4-12-25-21/h3-8,12,18,23H,9-11,13-17H2,1-2H3,(H,26,30)
InChIKeySWAYRJKVBIESHO-UHFFFAOYSA-N
XLogP3.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea (CID 24732195) is 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea is COCCN(C(=O)Nc1cccc(C(C)=O)c1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The InChIKey is SWAYRJKVBIESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-19(29)20-6-5-8-22(18-20)26-24(30)28(16-17-31-2)23-10-14-27(15-11-23)13-9-21-7-3-4-12-25-21/h3-8,12,18,23H,9-11,13-17H2,1-2H3,(H,26,30).
What are the key properties of 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea has a molecular weight of 424.55 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 24732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).