N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C22H27FN2O — CID 71605072

IUPACN-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1F
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(19-11-7-4-8-12-19)21-14-16-24(17-20(21)23)15-13-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3
InChIKeyDMCQJJAWMFBPOX-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.08
Rot. Bonds6

About N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 71605072) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID71605072
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1F
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(19-11-7-4-8-12-19)21-14-16-24(17-20(21)23)15-13-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3
InChIKeyDMCQJJAWMFBPOX-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 71605072) is N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1F.
What is the InChIKey of N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is DMCQJJAWMFBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-2-22(26)25(19-11-7-4-8-12-19)21-14-16-24(17-20(21)23)15-13-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3.
What are the key properties of N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 71605072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).