1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea

C18H20ClN3O2 — CID 47070264

IUPAC1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c19-16-3-1-2-4-17(16)21-18(24)20-13-5-7-14(8-6-13)22-11-9-15(23)10-12-22/h1-8,15,23H,9-12H2,(H2,20,21,24)
InChIKeyDTAXWFQTJMKQAO-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.95
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea

1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea (PubChem CID 47070264) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
PubChem CID47070264
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c19-16-3-1-2-4-17(16)21-18(24)20-13-5-7-14(8-6-13)22-11-9-15(23)10-12-22/h1-8,15,23H,9-12H2,(H2,20,21,24)
InChIKeyDTAXWFQTJMKQAO-UHFFFAOYSA-N
XLogP3.95
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
CID 6464249
methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzoate
CID 108992322
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108992532
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea (CID 47070264) is 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea?
The InChIKey is DTAXWFQTJMKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-3-1-2-4-17(16)21-18(24)20-13-5-7-14(8-6-13)22-11-9-15(23)10-12-22/h1-8,15,23H,9-12H2,(H2,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea?
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea has a molecular weight of 345.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 47070264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).