1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

C19H28F3N3O — CID 126696237

IUPAC1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCCN1CCC(N(CCC)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H28F3N3O/c1-3-10-24-12-8-17(9-13-24)25(11-4-2)18(26)23-16-7-5-6-15(14-16)19(20,21)22/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,23,26)
InChIKeySPQBEWRIVKFIRA-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.82
Rot. Bonds6

About 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 126696237) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID126696237
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCCN1CCC(N(CCC)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H28F3N3O/c1-3-10-24-12-8-17(9-13-24)25(11-4-2)18(26)23-16-7-5-6-15(14-16)19(20,21)22/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,23,26)
InChIKeySPQBEWRIVKFIRA-UHFFFAOYSA-N
XLogP4.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157194086
1-benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
4-[3,3-diphenylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 69321680
1-[(3-fluoro-5-methylphenyl)methyl]-3-(3-methylphenyl)-1-(1-propylpiperidin-4-yl)urea
CID 159712836
1-(1-benzylpiperidin-4-yl)-1-[(4-tert-butylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42704267
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3430639
1-(2-aminoethyl)-1-propyl-3-[3-(trifluoromethyl)phenyl]urea
CID 61349730
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832
1-[2-(ethenylsulfinylamino)ethyl]-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126711718

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 126696237) is 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is CCCN1CCC(N(CCC)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is SPQBEWRIVKFIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-3-10-24-12-8-17(9-13-24)25(11-4-2)18(26)23-16-7-5-6-15(14-16)19(20,21)22/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,23,26).
What are the key properties of 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 371.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 126696237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).