N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide

C16H20FN3O3 — CID 173093781

IUPACN'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
SMILESNC(=O)C(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-4-1-11(2-5-12)3-6-14(21)20-9-7-13(8-10-20)19-16(23)15(18)22/h1-2,4-5,13H,3,6-10H2,(H2,18,22)(H,19,23)
InChIKeyKBWWALVYTDFWNU-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.35
Rot. Bonds4

About N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide

N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide (PubChem CID 173093781) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide.

Molecular Properties

Compound NameN'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
PubChem CID173093781
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
SMILESNC(=O)C(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-4-1-11(2-5-12)3-6-14(21)20-9-7-13(8-10-20)19-16(23)15(18)22/h1-2,4-5,13H,3,6-10H2,(H2,18,22)(H,19,23)
InChIKeyKBWWALVYTDFWNU-UHFFFAOYSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate
CID 173090240
N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
CID 110248463
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide?
The IUPAC name of N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide (CID 173093781) is N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide.
What is the SMILES notation for N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide?
The canonical SMILES for N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide is NC(=O)C(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide?
The InChIKey is KBWWALVYTDFWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-4-1-11(2-5-12)3-6-14(21)20-9-7-13(8-10-20)19-16(23)15(18)22/h1-2,4-5,13H,3,6-10H2,(H2,18,22)(H,19,23).
What are the key properties of N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide?
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide has a molecular weight of 321.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide is sourced from PubChem (CID 173093781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).