1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide

C14H16ClF3N4O2 — CID 2768200

IUPAC1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-8(23)22-4-2-9(3-5-22)13(24)21-20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9H,2-5H2,1H3,(H,19,20)(H,21,24)
InChIKeyYZYMMAVFXNJLQR-UHFFFAOYSA-N
MW364.76 g/mol
LogP2.46
Rot. Bonds3

About 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide

1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide (PubChem CID 2768200) has the molecular formula C14H16ClF3N4O2 and a molecular weight of 364.76 g/mol. Its IUPAC name is 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
PubChem CID2768200
Molecular FormulaC14H16ClF3N4O2
Molecular Weight364.76 g/mol
Exact Mass364.09
IUPAC Name1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-8(23)22-4-2-9(3-5-22)13(24)21-20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9H,2-5H2,1H3,(H,19,20)(H,21,24)
InChIKeyYZYMMAVFXNJLQR-UHFFFAOYSA-N
XLogP2.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide (CID 2768200) is 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide is CC(=O)N1CCC(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The InChIKey is YZYMMAVFXNJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O2/c1-8(23)22-4-2-9(3-5-22)13(24)21-20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9H,2-5H2,1H3,(H,19,20)(H,21,24).
What are the key properties of 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide has a molecular weight of 364.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 2768200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).