3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

C21H22ClFN2O2 — CID 108556555

IUPAC3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-16-8-5-15(6-9-16)7-10-20(26)24-17-11-13-25(14-12-17)21(27)18-3-1-2-4-19(18)23/h1-6,8-9,17H,7,10-14H2,(H,24,26)
InChIKeyAMEHOHFEXRZCMY-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.83
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108556555) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108556555
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-16-8-5-15(6-9-16)7-10-20(26)24-17-11-13-25(14-12-17)21(27)18-3-1-2-4-19(18)23/h1-6,8-9,17H,7,10-14H2,(H,24,26)
InChIKeyAMEHOHFEXRZCMY-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
CID 127366432
2-(4-chlorophenyl)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108566655
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 108556555) is 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is O=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is AMEHOHFEXRZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-16-8-5-15(6-9-16)7-10-20(26)24-17-11-13-25(14-12-17)21(27)18-3-1-2-4-19(18)23/h1-6,8-9,17H,7,10-14H2,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 388.87 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108556555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).