1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C19H28F3N3O — CID 60577137

IUPAC1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H28F3N3O/c1-14-4-3-11-25(12-14)13-15(2)24-18(26)23-10-9-16-5-7-17(8-6-16)19(20,21)22/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,23,24,26)
InChIKeyAMXKEEJEGPHJGQ-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.67
Rot. Bonds6

About 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 60577137) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID60577137
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H28F3N3O/c1-14-4-3-11-25(12-14)13-15(2)24-18(26)23-10-9-16-5-7-17(8-6-16)19(20,21)22/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,23,24,26)
InChIKeyAMXKEEJEGPHJGQ-UHFFFAOYSA-N
XLogP3.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 86880894
2-methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295786
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]urea
CID 100840376
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354
1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
CID 47071760
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 110890023
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
CID 46430265

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 60577137) is 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CC1CCCN(CC(C)NC(=O)NCCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is AMXKEEJEGPHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-14-4-3-11-25(12-14)13-15(2)24-18(26)23-10-9-16-5-7-17(8-6-16)19(20,21)22/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 371.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 60577137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).