1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea

C15H18F3N3O3 — CID 95299326

IUPAC1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-3-5-11(6-4-10)24-9-8-20-14(23)21-12-2-1-7-19-13(12)22/h3-6,12H,1-2,7-9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyGGCSUPDBLFNPAW-GFCCVEGCSA-N
MW345.32 g/mol
LogP1.66
Rot. Bonds5

About 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea

1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea (PubChem CID 95299326) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea.

Molecular Properties

Compound Name1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
PubChem CID95299326
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-3-5-11(6-4-10)24-9-8-20-14(23)21-12-2-1-7-19-13(12)22/h3-6,12H,1-2,7-9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyGGCSUPDBLFNPAW-GFCCVEGCSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 71911048
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
1-[(3S)-2-oxoazepan-3-yl]-3-[(2R)-3,3,3-trifluoro-2-phenylpropyl]urea
CID 124618427
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 111454652
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 110921401
2-methyl-4-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80541957
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea (CID 95299326) is 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea.
What is the SMILES notation for 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The canonical SMILES for 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea is O=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The InChIKey is GGCSUPDBLFNPAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)10-3-5-11(6-4-10)24-9-8-20-14(23)21-12-2-1-7-19-13(12)22/h3-6,12H,1-2,7-9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1.
What are the key properties of 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea has a molecular weight of 345.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea is sourced from PubChem (CID 95299326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).