3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide

C21H23FN2O2 — CID 91913390

IUPAC3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-18-7-9-19(10-8-18)23-20(25)11-6-16-12-14-24(15-13-16)21(26)17-4-2-1-3-5-17/h1-5,7-10,16H,6,11-15H2,(H,23,25)
InChIKeyDBKYSSDKPCPCEQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.10
Rot. Bonds5

About 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide

3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 91913390) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
PubChem CID91913390
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-18-7-9-19(10-8-18)23-20(25)11-6-16-12-14-24(15-13-16)21(26)17-4-2-1-3-5-17/h1-5,7-10,16H,6,11-15H2,(H,23,25)
InChIKeyDBKYSSDKPCPCEQ-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide (CID 91913390) is 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide is O=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is DBKYSSDKPCPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-9-19(10-8-18)23-20(25)11-6-16-12-14-24(15-13-16)21(26)17-4-2-1-3-5-17/h1-5,7-10,16H,6,11-15H2,(H,23,25).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 91913390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).