1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

C71H87F4N9O9 — CID 87728054

IUPAC1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)C)c2)CC1.Cc1ccc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1NC(=O)NC(C)C.Cc1ccc(C(=O)N2CCC(O)(c3ccccc3F)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C24H28F3N3O3.C24H31N3O3.C23H28FN3O3/c1-15(2)28-22(32)29-20-13-17(8-7-16(20)3)21(31)30-11-9-23(33,10-12-30)18-5-4-6-19(14-18)24(25,26)27;1-16(2)25-24(29)26-21-15-19(10-9-17(21)3)23(28)27-13-11-18(12-14-27)20-7-5-6-8-22(20)30-4;1-15(2)25-22(29)26-20-14-17(9-8-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-4-5-7-19(18)24/h4-8,13-15,33H,9-12H2,1-3H3,(H2,28,29,32);5-10,15-16,18H,11-14H2,1-4H3,(H2,25,26,29);4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyBVIIVIORXNWBET-UHFFFAOYSA-N
MW1286.52 g/mol
LogP13.01
Rot. Bonds13

About 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (PubChem CID 87728054) has the molecular formula C71H87F4N9O9 and a molecular weight of 1286.52 g/mol. Its IUPAC name is 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
PubChem CID87728054
Molecular FormulaC71H87F4N9O9
Molecular Weight1286.52 g/mol
Exact Mass1285.66
IUPAC Name1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)C)c2)CC1.Cc1ccc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1NC(=O)NC(C)C.Cc1ccc(C(=O)N2CCC(O)(c3ccccc3F)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C24H28F3N3O3.C24H31N3O3.C23H28FN3O3/c1-15(2)28-22(32)29-20-13-17(8-7-16(20)3)21(31)30-11-9-23(33,10-12-30)18-5-4-6-19(14-18)24(25,26)27;1-16(2)25-24(29)26-21-15-19(10-9-17(21)3)23(28)27-13-11-18(12-14-27)20-7-5-6-8-22(20)30-4;1-15(2)25-22(29)26-20-14-17(9-8-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-4-5-7-19(18)24/h4-8,13-15,33H,9-12H2,1-3H3,(H2,28,29,32);5-10,15-16,18H,11-14H2,1-4H3,(H2,25,26,29);4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyBVIIVIORXNWBET-UHFFFAOYSA-N
XLogP13.01
TPSA234.01 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.52
LogP ≤ 513.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (CID 87728054) is 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is COc1ccccc1C1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)C)c2)CC1.Cc1ccc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1NC(=O)NC(C)C.Cc1ccc(C(=O)N2CCC(O)(c3ccccc3F)CC2)cc1NC(=O)NC(C)C.
What is the InChIKey of 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The InChIKey is BVIIVIORXNWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3.C24H31N3O3.C23H28FN3O3/c1-15(2)28-22(32)29-20-13-17(8-7-16(20)3)21(31)30-11-9-23(33,10-12-30)18-5-4-6-19(14-18)24(25,26)27;1-16(2)25-24(29)26-21-15-19(10-9-17(21)3)23(28)27-13-11-18(12-14-27)20-7-5-6-8-22(20)30-4;1-15(2)25-22(29)26-20-14-17(9-8-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-4-5-7-19(18)24/h4-8,13-15,33H,9-12H2,1-3H3,(H2,28,29,32);5-10,15-16,18H,11-14H2,1-4H3,(H2,25,26,29);4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea has a molecular weight of 1286.52 g/mol, XLogP of 13.01, 13 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea;1-[5-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 87728054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).