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

C21H23FN2O2 — CID 91913383

IUPAC3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c22-18-7-4-8-19(15-18)23-20(25)10-9-16-11-13-24(14-12-16)21(26)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,23,25)
InChIKeyJZBOJIDXQJXPGK-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.10
Rot. Bonds5

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

3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 91913383) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
PubChem CID91913383
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c22-18-7-4-8-19(15-18)23-20(25)10-9-16-11-13-24(14-12-16)21(26)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,23,25)
InChIKeyJZBOJIDXQJXPGK-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-(4-fluorophenyl)propanamide
CID 91913390
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide (CID 91913383) is 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide is O=C(CCC1CCN(C(=O)c2ccccc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is JZBOJIDXQJXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-4-8-19(15-18)23-20(25)10-9-16-11-13-24(14-12-16)21(26)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,23,25).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide?
3-(1-benzoylpiperidin-4-yl)-N-(3-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-(3-fluorophenyl)propanamide is sourced from PubChem (CID 91913383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).