N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide

C17H16F4N4O — CID 133370977

IUPACN-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2c(F)c(F)nc(F)c2F)CC1)Nc1ccccc1
InChIInChI=1S/C17H16F4N4O/c18-13-15(14(19)17(21)23-16(13)20)25-8-6-24(7-9-25)10-12(26)22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,26)
InChIKeyUNBBMRRFGOSWGH-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.40
Rot. Bonds4

About N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide

N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 133370977) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
PubChem CID133370977
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC NameN-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2c(F)c(F)nc(F)c2F)CC1)Nc1ccccc1
InChIInChI=1S/C17H16F4N4O/c18-13-15(14(19)17(21)23-16(13)20)25-8-6-24(7-9-25)10-12(26)22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,26)
InChIKeyUNBBMRRFGOSWGH-UHFFFAOYSA-N
XLogP2.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid
CID 23441672
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
CID 57188143
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide (CID 133370977) is N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2c(F)c(F)nc(F)c2F)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is UNBBMRRFGOSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O/c18-13-15(14(19)17(21)23-16(13)20)25-8-6-24(7-9-25)10-12(26)22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,26).
What are the key properties of N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide?
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 368.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133370977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).