1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea

C17H25N3O3 — CID 69241812

IUPAC1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC(=O)N1CCC(NC(=O)NCCCc2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-13(21)20-11-8-15(9-12-20)19-17(23)18-10-2-3-14-4-6-16(22)7-5-14/h4-7,15,22H,2-3,8-12H2,1H3,(H2,18,19,23)
InChIKeyNQBLDVUTHIVYDX-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.63
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea

1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea (PubChem CID 69241812) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
PubChem CID69241812
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC(=O)N1CCC(NC(=O)NCCCc2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-13(21)20-11-8-15(9-12-20)19-17(23)18-10-2-3-14-4-6-16(22)7-5-14/h4-7,15,22H,2-3,8-12H2,1H3,(H2,18,19,23)
InChIKeyNQBLDVUTHIVYDX-UHFFFAOYSA-N
XLogP1.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 154736862
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea (CID 69241812) is 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea is CC(=O)N1CCC(NC(=O)NCCCc2ccc(O)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is NQBLDVUTHIVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(21)20-11-8-15(9-12-20)19-17(23)18-10-2-3-14-4-6-16(22)7-5-14/h4-7,15,22H,2-3,8-12H2,1H3,(H2,18,19,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 319.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 69241812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).