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

C22H27FN2O — CID 621847

IUPACN-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3
InChIKeySLTQVWMQISKVDN-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.28
Rot. Bonds6

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

N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 621847) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID621847
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3
InChIKeySLTQVWMQISKVDN-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-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 621847) is N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is SLTQVWMQISKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-(3-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-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 621847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).