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

C19H27FN2O2 — CID 110819641

IUPAC3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(2)12-19(24)22-10-8-17(9-11-22)21-18(23)7-6-15-4-3-5-16(20)13-15/h3-5,13-14,17H,6-12H2,1-2H3,(H,21,23)
InChIKeyOUXOIMVQXPSBRW-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.91
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 110819641) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
PubChem CID110819641
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(2)12-19(24)22-10-8-17(9-11-22)21-18(23)7-6-15-4-3-5-16(20)13-15/h3-5,13-14,17H,6-12H2,1-2H3,(H,21,23)
InChIKeyOUXOIMVQXPSBRW-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-fluorophenyl)propanamide
CID 134047878
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
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide (CID 110819641) is 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide is CC(C)CC(=O)N1CCC(NC(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is OUXOIMVQXPSBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)12-19(24)22-10-8-17(9-11-22)21-18(23)7-6-15-4-3-5-16(20)13-15/h3-5,13-14,17H,6-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide has a molecular weight of 334.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110819641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).