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

C19H27FN2O2 — CID 110819642

IUPAC3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(2)13-19(24)22-11-9-16(10-12-22)21-18(23)8-7-15-5-3-4-6-17(15)20/h3-6,14,16H,7-13H2,1-2H3,(H,21,23)
InChIKeyORWTUWVMYHAXCZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.91
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 110819642) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
PubChem CID110819642
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(2)13-19(24)22-11-9-16(10-12-22)21-18(23)8-7-15-5-3-4-6-17(15)20/h3-6,14,16H,7-13H2,1-2H3,(H,21,23)
InChIKeyORWTUWVMYHAXCZ-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

N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide (CID 110819642) is 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide is CC(C)CC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is ORWTUWVMYHAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)13-19(24)22-11-9-16(10-12-22)21-18(23)8-7-15-5-3-4-6-17(15)20/h3-6,14,16H,7-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide?
3-(2-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-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110819642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).