1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea

C19H25F3N4O2 — CID 146133912

IUPAC1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
SMILESNC(CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)15-4-2-1-3-14(15)17(27)26-9-7-13(8-10-26)25-18(28)24-11-16(23)12-5-6-12/h1-4,12-13,16H,5-11,23H2,(H2,24,25,28)
InChIKeyCDIFHEMAPBCEKT-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.35
Rot. Bonds5

About 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea

1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea (PubChem CID 146133912) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
PubChem CID146133912
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
SMILESNC(CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)15-4-2-1-3-14(15)17(27)26-9-7-13(8-10-26)25-18(28)24-11-16(23)12-5-6-12/h1-4,12-13,16H,5-11,23H2,(H2,24,25,28)
InChIKeyCDIFHEMAPBCEKT-UHFFFAOYSA-N
XLogP2.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108566004
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
tert-butyl N-[3-oxo-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]propyl]carbamate
CID 108548270
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea (CID 146133912) is 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea is NC(CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea?
The InChIKey is CDIFHEMAPBCEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)15-4-2-1-3-14(15)17(27)26-9-7-13(8-10-26)25-18(28)24-11-16(23)12-5-6-12/h1-4,12-13,16H,5-11,23H2,(H2,24,25,28).
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea?
1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea has a molecular weight of 398.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea is sourced from PubChem (CID 146133912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).