2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

C18H25FN2O2 — CID 51093724

IUPAC2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)10-18(23)21-8-6-16(7-9-21)20-17(22)12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H,20,22)
InChIKeyNVSQWFXAHBDVBS-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide

2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide (PubChem CID 51093724) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
PubChem CID51093724
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)10-18(23)21-8-6-16(7-9-21)20-17(22)12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H,20,22)
InChIKeyNVSQWFXAHBDVBS-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide (CID 51093724) is 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide is CC(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
The InChIKey is NVSQWFXAHBDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)10-18(23)21-8-6-16(7-9-21)20-17(22)12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide?
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 51093724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).