3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C14H17F3N4O2 — CID 56761469

IUPAC3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=CN1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)12-2-1-11(9-18-12)19-13(23)3-4-20-5-7-21(10-22)8-6-20/h1-2,9-10H,3-8H2,(H,19,23)
InChIKeyQZAMEGOOQIBQIR-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.20
Rot. Bonds5

About 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 56761469) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID56761469
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=CN1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)12-2-1-11(9-18-12)19-13(23)3-4-20-5-7-21(10-22)8-6-20/h1-2,9-10H,3-8H2,(H,19,23)
InChIKeyQZAMEGOOQIBQIR-UHFFFAOYSA-N
XLogP1.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-formylpiperazin-1-yl)methyl]-4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoic acid
CID 95860398
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832
ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
methyl 3-[3-(4-formylpiperazin-1-yl)propanoylamino]benzoate
CID 109018056
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide
CID 109018076
4-(pyridin-4-ylmethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 126774966
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 56761469) is 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is O=CN1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is QZAMEGOOQIBQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)12-2-1-11(9-18-12)19-13(23)3-4-20-5-7-21(10-22)8-6-20/h1-2,9-10H,3-8H2,(H,19,23).
What are the key properties of 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 330.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 56761469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).