2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

C21H24F2N4O — CID 134098903

IUPAC2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N4O/c22-15-6-7-17(18(23)12-15)21(28)24-16-8-10-27(11-9-16)20-13-19(25-26-20)14-4-2-1-3-5-14/h1-7,12,16,19-20,25-26H,8-11,13H2,(H,24,28)
InChIKeyGXCCBLPJJZJXHH-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.72
Rot. Bonds4

About 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (PubChem CID 134098903) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
PubChem CID134098903
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N4O/c22-15-6-7-17(18(23)12-15)21(28)24-16-8-10-27(11-9-16)20-13-19(25-26-20)14-4-2-1-3-5-14/h1-7,12,16,19-20,25-26H,8-11,13H2,(H,24,28)
InChIKeyGXCCBLPJJZJXHH-UHFFFAOYSA-N
XLogP2.72
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-phenylacetamide
CID 134099098
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 134098863
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (CID 134098903) is 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is GXCCBLPJJZJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-15-6-7-17(18(23)12-15)21(28)24-16-8-10-27(11-9-16)20-13-19(25-26-20)14-4-2-1-3-5-14/h1-7,12,16,19-20,25-26H,8-11,13H2,(H,24,28).
What are the key properties of 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134098903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).