1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea

C18H27N3O4 — CID 175152318

IUPAC1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C(O)CCCCO)CC1
InChIInChI=1S/C18H27N3O4/c22-13-5-4-8-16(23)17(24)21-11-9-15(10-12-21)20-18(25)19-14-6-2-1-3-7-14/h1-3,6-7,15-16,22-23H,4-5,8-13H2,(H2,19,20,25)
InChIKeyQTIQSMVKANWISF-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.32
Rot. Bonds7

About 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea

1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea (PubChem CID 175152318) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea
PubChem CID175152318
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C(O)CCCCO)CC1
InChIInChI=1S/C18H27N3O4/c22-13-5-4-8-16(23)17(24)21-11-9-15(10-12-21)20-18(25)19-14-6-2-1-3-7-14/h1-3,6-7,15-16,22-23H,4-5,8-13H2,(H2,19,20,25)
InChIKeyQTIQSMVKANWISF-UHFFFAOYSA-N
XLogP1.32
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[1-[4-(methylamino)butanoyl]piperidin-4-yl]-3-phenylurea;hydrochloride
CID 119750416
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895
1-[1-(2-bicyclo[2.2.1]heptanylcarbamothioyl)piperidin-4-yl]-3-phenylurea
CID 48843294
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
1-[1-[2-(3-bromo-1-adamantyl)acetyl]piperidin-4-yl]-3-phenylurea
CID 60571906
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea (CID 175152318) is 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(C(=O)C(O)CCCCO)CC1.
What is the InChIKey of 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea?
The InChIKey is QTIQSMVKANWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c22-13-5-4-8-16(23)17(24)21-11-9-15(10-12-21)20-18(25)19-14-6-2-1-3-7-14/h1-3,6-7,15-16,22-23H,4-5,8-13H2,(H2,19,20,25).
What are the key properties of 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea?
1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea has a molecular weight of 349.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dihydroxyhexanoyl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 175152318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).