3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C19H26FN3O2 — CID 36881302

IUPAC3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)C2CCCC2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H26FN3O2/c20-16-7-3-4-8-17(16)21-18(24)9-10-22-11-13-23(14-12-22)19(25)15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,21,24)
InChIKeyFBMCDLUFOGFMBK-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.49
Rot. Bonds5

About 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 36881302) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID36881302
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)C2CCCC2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H26FN3O2/c20-16-7-3-4-8-17(16)21-18(24)9-10-22-11-13-23(14-12-22)19(25)15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,21,24)
InChIKeyFBMCDLUFOGFMBK-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654769
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 36881302) is 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(C(=O)C2CCCC2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is FBMCDLUFOGFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-7-3-4-8-17(16)21-18(24)9-10-22-11-13-23(14-12-22)19(25)15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,21,24).
What are the key properties of 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 347.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 36881302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).