1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea

C20H31N3O2 — CID 75371042

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
SMILESCC(C)=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)8-11-23-12-9-17(10-13-23)22-20(25)21-14-19(24)18-7-5-4-6-16(18)3/h4-8,17,19,24H,9-14H2,1-3H3,(H2,21,22,25)
InChIKeyUOWUOVAXNUXGDU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea (PubChem CID 75371042) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
PubChem CID75371042
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
SMILESCC(C)=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)8-11-23-12-9-17(10-13-23)22-20(25)21-14-19(24)18-7-5-4-6-16(18)3/h4-8,17,19,24H,9-14H2,1-3H3,(H2,21,22,25)
InChIKeyUOWUOVAXNUXGDU-UHFFFAOYSA-N
XLogP2.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.76
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-prop-2-enylpiperidin-4-yl)urea
CID 111121232
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
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
CID 75370045
benzyl N-[(2S)-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 56569206
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 129489862
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111106538
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56568902
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea (CID 75371042) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea is CC(C)=CCN1CCC(NC(=O)NCC(O)c2ccccc2C)CC1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The InChIKey is UOWUOVAXNUXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)8-11-23-12-9-17(10-13-23)22-20(25)21-14-19(24)18-7-5-4-6-16(18)3/h4-8,17,19,24H,9-14H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.76, 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-(3-methylbut-2-enyl)piperidin-4-yl]urea is sourced from PubChem (CID 75371042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).