N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide

C16H20F2N2O3 — CID 108562171

IUPACN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O3/c1-23-9-6-15(21)19-12-4-7-20(8-5-12)16(22)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,21)
InChIKeySSDIMMVIVVEEMU-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide (PubChem CID 108562171) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
PubChem CID108562171
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O3/c1-23-9-6-15(21)19-12-4-7-20(8-5-12)16(22)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,21)
InChIKeySSDIMMVIVVEEMU-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
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-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
2-bromo-5-fluoro-N-[3-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 55839305
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119771193

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide (CID 108562171) is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is SSDIMMVIVVEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-23-9-6-15(21)19-12-4-7-20(8-5-12)16(22)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide?
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 326.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 108562171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).