1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea

C20H25N3O2 — CID 168974043

IUPAC1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
SMILESCc1ccc(C)c(NC(=O)NC2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-14-6-7-15(2)19(12-14)22-20(25)21-16-8-10-23(11-9-16)17-4-3-5-18(24)13-17/h3-7,12-13,16,24H,8-11H2,1-2H3,(H2,21,22,25)
InChIKeyPZEFURWBYYEPLJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.80
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea

1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea (PubChem CID 168974043) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
PubChem CID168974043
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
SMILESCc1ccc(C)c(NC(=O)NC2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-14-6-7-15(2)19(12-14)22-20(25)21-16-8-10-23(11-9-16)17-4-3-5-18(24)13-17/h3-7,12-13,16,24H,8-11H2,1-2H3,(H2,21,22,25)
InChIKeyPZEFURWBYYEPLJ-UHFFFAOYSA-N
XLogP3.80
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea 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-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200
1-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
CID 126437574
1-(1-benzoylpiperidin-4-yl)-3-(2,5-dimethylphenyl)thiourea
CID 94472172
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea (CID 168974043) is 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea is Cc1ccc(C)c(NC(=O)NC2CCN(c3cccc(O)c3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea?
The InChIKey is PZEFURWBYYEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-7-15(2)19(12-14)22-20(25)21-16-8-10-23(11-9-16)17-4-3-5-18(24)13-17/h3-7,12-13,16,24H,8-11H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea?
1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea is sourced from PubChem (CID 168974043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).