1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea

C20H23N3O3 — CID 25070785

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15(24)23-13-11-17(12-14-23)22-20(25)21-16-7-9-19(10-8-16)26-18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3,(H2,21,22,25)
InChIKeyWAKWEKJYCWLMSF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.61
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea (PubChem CID 25070785) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
PubChem CID25070785
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15(24)23-13-11-17(12-14-23)22-20(25)21-16-7-9-19(10-8-16)26-18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3,(H2,21,22,25)
InChIKeyWAKWEKJYCWLMSF-UHFFFAOYSA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-[1-[6-(4-phenoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-3-phenylurea
CID 171350703
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea (CID 25070785) is 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea is CC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The InChIKey is WAKWEKJYCWLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)23-13-11-17(12-14-23)22-20(25)21-16-7-9-19(10-8-16)26-18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 25070785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).