(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide

C17H23F2N3O2 — CID 95300051

IUPAC(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-3-6-20-16(23)12(2)21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyHBDLQOISEGGOJB-GFCCVEGCSA-N
MW339.39 g/mol
LogP1.64
Rot. Bonds5

About (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide

(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide (PubChem CID 95300051) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
PubChem CID95300051
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-3-6-20-16(23)12(2)21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyHBDLQOISEGGOJB-GFCCVEGCSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771177
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119771193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide (CID 95300051) is (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide?
The InChIKey is HBDLQOISEGGOJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-3-6-20-16(23)12(2)21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide?
(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide has a molecular weight of 339.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 95300051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).