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

C19H27FN2O2 — CID 110822279

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-19(2,3)13-18(24)22-9-7-16(8-10-22)21-17(23)12-14-5-4-6-15(20)11-14/h4-6,11,16H,7-10,12-13H2,1-3H3,(H,21,23)
InChIKeyGPBUYVHDKCNVRE-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.91
Rot. Bonds4

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

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 110822279) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
PubChem CID110822279
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-19(2,3)13-18(24)22-9-7-16(8-10-22)21-17(23)12-14-5-4-6-15(20)11-14/h4-6,11,16H,7-10,12-13H2,1-3H3,(H,21,23)
InChIKeyGPBUYVHDKCNVRE-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide (CID 110822279) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide is CC(C)(C)CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is GPBUYVHDKCNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-19(2,3)13-18(24)22-9-7-16(8-10-22)21-17(23)12-14-5-4-6-15(20)11-14/h4-6,11,16H,7-10,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 110822279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).