4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide

C15H19F2N3O2 — CID 110812532

IUPAC4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)20-8-6-19(7-9-20)14(21)12-4-3-11(16)10-13(12)17/h3-4,10H,2,5-9H2,1H3,(H,18,22)
InChIKeyOESSOOIRZWJXDA-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.84
Rot. Bonds3

About 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide

4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812532) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812532
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)20-8-6-19(7-9-20)14(21)12-4-3-11(16)10-13(12)17/h3-4,10H,2,5-9H2,1H3,(H,18,22)
InChIKeyOESSOOIRZWJXDA-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
CID 95300051
N-propyl-4-(2,3,4-trifluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811669
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 63110197
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
4-[[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021281
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365561
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812532) is 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is OESSOOIRZWJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)20-8-6-19(7-9-20)14(21)12-4-3-11(16)10-13(12)17/h3-4,10H,2,5-9H2,1H3,(H,18,22).
What are the key properties of 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide?
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).