N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C25H33FN2O — CID 56931035

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H33FN2O/c1-19(2)25(22-8-10-23(26)11-9-22)27-24(29)18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21,25H,12-18H2,1-2H3,(H,27,29)/t25-/m1/s1
InChIKeyDMBWAYITNBHULX-RUZDIDTESA-N
MW396.55 g/mol
LogP4.98
Rot. Bonds8

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 56931035) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID56931035
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H33FN2O/c1-19(2)25(22-8-10-23(26)11-9-22)27-24(29)18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21,25H,12-18H2,1-2H3,(H,27,29)/t25-/m1/s1
InChIKeyDMBWAYITNBHULX-RUZDIDTESA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 56931035) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is CC(C)[C@@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is DMBWAYITNBHULX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H33FN2O/c1-19(2)25(22-8-10-23(26)11-9-22)27-24(29)18-21-13-16-28(17-14-21)15-12-20-6-4-3-5-7-20/h3-11,19,21,25H,12-18H2,1-2H3,(H,27,29)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 396.55 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).