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

C18H25FN2O2 — CID 91913396

IUPAC3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-11-20-17(22)8-7-14-9-12-21(13-10-14)18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22)
InChIKeyQHSXNBYHWCCVLF-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.98
Rot. Bonds6

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

3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide (PubChem CID 91913396) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide
PubChem CID91913396
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-11-20-17(22)8-7-14-9-12-21(13-10-14)18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22)
InChIKeyQHSXNBYHWCCVLF-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71475145
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
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1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
N-Propylbenzamide
CID 25354
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide?
The IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide (CID 91913396) is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide is CCCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide?
The InChIKey is QHSXNBYHWCCVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-11-20-17(22)8-7-14-9-12-21(13-10-14)18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22).
What are the key properties of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide?
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propylpropanamide is sourced from PubChem (CID 91913396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).