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

C22H25FN2O2 — CID 55864910

IUPACN-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
SMILESCc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-16-5-7-17(8-6-16)22(27)18-9-12-25(13-10-18)14-11-21(26)24-20-4-2-3-19(23)15-20/h2-8,15,18H,9-14H2,1H3,(H,24,26)
InChIKeyKRGICZAWXHNAEH-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.06
Rot. Bonds6

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

N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide (PubChem CID 55864910) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
PubChem CID55864910
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
SMILESCc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-16-5-7-17(8-6-16)22(27)18-9-12-25(13-10-18)14-11-21(26)24-20-4-2-3-19(23)15-20/h2-8,15,18H,9-14H2,1H3,(H,24,26)
InChIKeyKRGICZAWXHNAEH-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
CID 55841465
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 126830524
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
CID 119927376

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide (CID 55864910) is N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide is Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The InChIKey is KRGICZAWXHNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-5-7-17(8-6-16)22(27)18-9-12-25(13-10-18)14-11-21(26)24-20-4-2-3-19(23)15-20/h2-8,15,18H,9-14H2,1H3,(H,24,26).
What are the key properties of N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide has a molecular weight of 368.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 55864910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).