N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide

C25H32FN3O — CID 16673788

IUPACN-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C25H32FN3O/c1-20(30)27-25(22-9-11-23(26)12-10-22)13-17-28(18-14-25)19-21-7-3-4-8-24(21)29-15-5-2-6-16-29/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,27,30)
InChIKeyMLKIVYBGMVJDFW-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.44
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide

N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 16673788) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID16673788
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC NameN-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C25H32FN3O/c1-20(30)27-25(22-9-11-23(26)12-10-22)13-17-28(18-14-25)19-21-7-3-4-8-24(21)29-15-5-2-6-16-29/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,27,30)
InChIKeyMLKIVYBGMVJDFW-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 16673788) is N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCCC2)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is MLKIVYBGMVJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O/c1-20(30)27-25(22-9-11-23(26)12-10-22)13-17-28(18-14-25)19-21-7-3-4-8-24(21)29-15-5-2-6-16-29/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 409.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 16673788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).