N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide

C18H25FN2O2 — CID 110822692

IUPACN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyASSWKTBEQWNRPL-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds5

About N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 110822692) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID110822692
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyASSWKTBEQWNRPL-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-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide (CID 110822692) is N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is ASSWKTBEQWNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)19/h3-6,13,15H,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide 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 N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 110822692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).