1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea

C13H19N3O2 — CID 117235378

IUPAC1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
SMILESO=C(NCc1cccc(O)c1)NC1CCNCC1
InChIInChI=1S/C13H19N3O2/c17-12-3-1-2-10(8-12)9-15-13(18)16-11-4-6-14-7-5-11/h1-3,8,11,14,17H,4-7,9H2,(H2,15,16,18)
InChIKeyOPVSRWKKEIPEKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds3

About 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea

1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea (PubChem CID 117235378) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
PubChem CID117235378
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
SMILESO=C(NCc1cccc(O)c1)NC1CCNCC1
InChIInChI=1S/C13H19N3O2/c17-12-3-1-2-10(8-12)9-15-13(18)16-11-4-6-14-7-5-11/h1-3,8,11,14,17H,4-7,9H2,(H2,15,16,18)
InChIKeyOPVSRWKKEIPEKS-UHFFFAOYSA-N
XLogP0.94
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea (CID 117235378) is 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea is O=C(NCc1cccc(O)c1)NC1CCNCC1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea?
The InChIKey is OPVSRWKKEIPEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-3-1-2-10(8-12)9-15-13(18)16-11-4-6-14-7-5-11/h1-3,8,11,14,17H,4-7,9H2,(H2,15,16,18).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea?
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea has a molecular weight of 249.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea is sourced from PubChem (CID 117235378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).