N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide

C23H29FN2O — CID 24769365

IUPACN-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H29FN2O/c1-2-23(27)26(22-10-6-9-21(24)17-22)18-20-12-15-25(16-13-20)14-11-19-7-4-3-5-8-19/h3-10,17,20H,2,11-16,18H2,1H3
InChIKeyQOKDXTVKCSKAKZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.52
Rot. Bonds7

About N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide

N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 24769365) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
PubChem CID24769365
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H29FN2O/c1-2-23(27)26(22-10-6-9-21(24)17-22)18-20-12-15-25(16-13-20)14-11-19-7-4-3-5-8-19/h3-10,17,20H,2,11-16,18H2,1H3
InChIKeyQOKDXTVKCSKAKZ-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide (CID 24769365) is N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide is CCC(=O)N(CC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is QOKDXTVKCSKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-2-23(27)26(22-10-6-9-21(24)17-22)18-20-12-15-25(16-13-20)14-11-19-7-4-3-5-8-19/h3-10,17,20H,2,11-16,18H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide?
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 24769365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).