1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

C28H30F3N3O — CID 158550416

IUPAC1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(c1ccccc1)C(C1CCCNC1)N(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C28H30F3N3O/c1-20(21-9-4-2-5-10-21)26(22-11-8-18-32-19-22)34(25-12-6-3-7-13-25)27(35)33-24-16-14-23(15-17-24)28(29,30)31/h2-7,9-10,12-17,20,22,26,32H,8,11,18-19H2,1H3,(H,33,35)
InChIKeyHPQLFDZARVSFPK-UHFFFAOYSA-N
MW481.56 g/mol
LogP6.92
Rot. Bonds6

About 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158550416) has the molecular formula C28H30F3N3O and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID158550416
Molecular FormulaC28H30F3N3O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC Name1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(c1ccccc1)C(C1CCCNC1)N(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C28H30F3N3O/c1-20(21-9-4-2-5-10-21)26(22-11-8-18-32-19-22)34(25-12-6-3-7-13-25)27(35)33-24-16-14-23(15-17-24)28(29,30)31/h2-7,9-10,12-17,20,22,26,32H,8,11,18-19H2,1H3,(H,33,35)
InChIKeyHPQLFDZARVSFPK-UHFFFAOYSA-N
XLogP6.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide
CID 149434510
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 158550416) is 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is CC(c1ccccc1)C(C1CCCNC1)N(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is HPQLFDZARVSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O/c1-20(21-9-4-2-5-10-21)26(22-11-8-18-32-19-22)34(25-12-6-3-7-13-25)27(35)33-24-16-14-23(15-17-24)28(29,30)31/h2-7,9-10,12-17,20,22,26,32H,8,11,18-19H2,1H3,(H,33,35).
What are the key properties of 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 481.56 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158550416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).