N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid

C16H21FN2O5 — CID 171154607

IUPACN-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
SMILESO=C(CCN1CCCCC1)Nc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C14H19FN2O.C2H2O4/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17;3-1(4)2(5)6/h2-3,6-7H,1,4-5,8-11H2,(H,16,18);(H,3,4)(H,5,6)
InChIKeyDYLUMBZUNPTMNC-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.80
Rot. Bonds4

About N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid

N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid (PubChem CID 171154607) has the molecular formula C16H21FN2O5 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
PubChem CID171154607
Molecular FormulaC16H21FN2O5
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
SMILESO=C(CCN1CCCCC1)Nc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C14H19FN2O.C2H2O4/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17;3-1(4)2(5)6/h2-3,6-7H,1,4-5,8-11H2,(H,16,18);(H,3,4)(H,5,6)
InChIKeyDYLUMBZUNPTMNC-UHFFFAOYSA-N
XLogP1.80
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
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3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The IUPAC name of N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid (CID 171154607) is N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid.
What is the SMILES notation for N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The canonical SMILES for N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid is O=C(CCN1CCCCC1)Nc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
The InChIKey is DYLUMBZUNPTMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.C2H2O4/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17;3-1(4)2(5)6/h2-3,6-7H,1,4-5,8-11H2,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid?
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid has a molecular weight of 340.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid is sourced from PubChem (CID 171154607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).