2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide

C13H14ClF3N4O — CID 1483755

IUPAC2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide
SMILESNNC(=O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H14ClF3N4O/c14-10-6-9(13(15,16)17)7-19-12(10)21-3-1-8(2-4-21)5-11(22)20-18/h5-7H,1-4,18H2,(H,20,22)
InChIKeyKCCDDDYSBXFMPZ-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.27
Rot. Bonds2

About 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide (PubChem CID 1483755) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide.

Molecular Properties

Compound Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide
PubChem CID1483755
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide
SMILESNNC(=O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H14ClF3N4O/c14-10-6-9(13(15,16)17)7-19-12(10)21-3-1-8(2-4-21)5-11(22)20-18/h5-7H,1-4,18H2,(H,20,22)
InChIKeyKCCDDDYSBXFMPZ-UHFFFAOYSA-N
XLogP2.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide?
The IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide (CID 1483755) is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide.
What is the SMILES notation for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide?
The canonical SMILES for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide is NNC(=O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide?
The InChIKey is KCCDDDYSBXFMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c14-10-6-9(13(15,16)17)7-19-12(10)21-3-1-8(2-4-21)5-11(22)20-18/h5-7H,1-4,18H2,(H,20,22).
What are the key properties of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide?
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide has a molecular weight of 334.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ylidene]acetohydrazide is sourced from PubChem (CID 1483755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).