N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide

C26H33FN2O — CID 56668678

IUPACN-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide
SMILESO=C(CC1(c2ccc(F)cc2)CCCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33FN2O/c27-23-11-9-22(10-12-23)26(15-5-2-6-16-26)19-25(30)28-24-13-17-29(18-14-24)20-21-7-3-1-4-8-21/h1,3-4,7-12,24H,2,5-6,13-20H2,(H,28,30)
InChIKeyRJLNFGZDBHCRBT-UHFFFAOYSA-N
MW408.56 g/mol
LogP5.20
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide (PubChem CID 56668678) has the molecular formula C26H33FN2O and a molecular weight of 408.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide
PubChem CID56668678
Molecular FormulaC26H33FN2O
Molecular Weight408.56 g/mol
Exact Mass408.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide
SMILESO=C(CC1(c2ccc(F)cc2)CCCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33FN2O/c27-23-11-9-22(10-12-23)26(15-5-2-6-16-26)19-25(30)28-24-13-17-29(18-14-24)20-21-7-3-1-4-8-21/h1,3-4,7-12,24H,2,5-6,13-20H2,(H,28,30)
InChIKeyRJLNFGZDBHCRBT-UHFFFAOYSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide (CID 56668678) is N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide is O=C(CC1(c2ccc(F)cc2)CCCCC1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide?
The InChIKey is RJLNFGZDBHCRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O/c27-23-11-9-22(10-12-23)26(15-5-2-6-16-26)19-25(30)28-24-13-17-29(18-14-24)20-21-7-3-1-4-8-21/h1,3-4,7-12,24H,2,5-6,13-20H2,(H,28,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide has a molecular weight of 408.56 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[1-(4-fluorophenyl)cyclohexyl]acetamide is sourced from PubChem (CID 56668678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).