1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

C18H27N3O2 — CID 111121232

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-21-11-8-15(9-12-21)20-18(23)19-13-17(22)16-7-5-4-6-14(16)2/h3-7,15,17,22H,1,8-13H2,2H3,(H2,19,20,23)
InChIKeyRVYAOMFSQPNDIU-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea (PubChem CID 111121232) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
PubChem CID111121232
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-21-11-8-15(9-12-21)20-18(23)19-13-17(22)16-7-5-4-6-14(16)2/h3-7,15,17,22H,1,8-13H2,2H3,(H2,19,20,23)
InChIKeyRVYAOMFSQPNDIU-UHFFFAOYSA-N
XLogP1.98
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
CID 75371042
1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111106538
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482945
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
CID 111119604
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea (CID 111121232) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea is C=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The InChIKey is RVYAOMFSQPNDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-21-11-8-15(9-12-21)20-18(23)19-13-17(22)16-7-5-4-6-14(16)2/h3-7,15,17,22H,1,8-13H2,2H3,(H2,19,20,23).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea has a molecular weight of 317.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea is sourced from PubChem (CID 111121232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).