N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H27FN2O — CID 101454647

IUPACN-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyBKUWDIVZCJNXRA-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.28
Rot. Bonds6

About N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 101454647) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID101454647
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyBKUWDIVZCJNXRA-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 101454647) is N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is BKUWDIVZCJNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 101454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).