1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea

C24H32FN3O — CID 56930892

IUPAC1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESCC(C)[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H32FN3O/c1-18(2)23(20-8-10-21(25)11-9-20)27-24(29)26-22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22-23H,12-17H2,1-2H3,(H2,26,27,29)/t23-/m1/s1
InChIKeyDYGPHHIMORZMIH-HSZRJFAPSA-N
MW397.54 g/mol
LogP4.53
Rot. Bonds7

About 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea

1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea (PubChem CID 56930892) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
PubChem CID56930892
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESCC(C)[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H32FN3O/c1-18(2)23(20-8-10-21(25)11-9-20)27-24(29)26-22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22-23H,12-17H2,1-2H3,(H2,26,27,29)/t23-/m1/s1
InChIKeyDYGPHHIMORZMIH-HSZRJFAPSA-N
XLogP4.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea (CID 56930892) is 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea is CC(C)[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The InChIKey is DYGPHHIMORZMIH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-18(2)23(20-8-10-21(25)11-9-20)27-24(29)26-22-13-16-28(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22-23H,12-17H2,1-2H3,(H2,26,27,29)/t23-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea has a molecular weight of 397.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 56930892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).