1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea

C17H22F3N3O3 — CID 166211547

IUPAC1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H22F3N3O3/c1-3-8-26-14-6-4-11(17(18,19)20)9-13(14)22-16(25)21-12-5-7-15(24)23(2)10-12/h4,6,9,12H,3,5,7-8,10H2,1-2H3,(H2,21,22,25)
InChIKeyLBACHVMPXBZFSC-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea

1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 166211547) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea
PubChem CID166211547
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H22F3N3O3/c1-3-8-26-14-6-4-11(17(18,19)20)9-13(14)22-16(25)21-12-5-7-15(24)23(2)10-12/h4,6,9,12H,3,5,7-8,10H2,1-2H3,(H2,21,22,25)
InChIKeyLBACHVMPXBZFSC-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 111442987
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 46628924
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 125178879
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118775141
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea (CID 166211547) is 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea is CCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is LBACHVMPXBZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-3-8-26-14-6-4-11(17(18,19)20)9-13(14)22-16(25)21-12-5-7-15(24)23(2)10-12/h4,6,9,12H,3,5,7-8,10H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea?
1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 373.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 166211547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).