N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide

C15H18F2N2O2 — CID 108562134

IUPACN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20)
InChIKeyYRTXYSBNILQNBV-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108562134) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108562134
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20)
InChIKeyYRTXYSBNILQNBV-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888
N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 106544278
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide (CID 108562134) is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is YRTXYSBNILQNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide?
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 296.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108562134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).