N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide

C8H12F3N3O2 — CID 154015498

IUPACN'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyRCSKXRDKEHTPKJ-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.30
Rot. Bonds1

About N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide

N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide (PubChem CID 154015498) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide
PubChem CID154015498
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyRCSKXRDKEHTPKJ-UHFFFAOYSA-N
XLogP-0.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidine-4-carbohydrazide
CID 456704
N'-acetylpiperidine-4-carbohydrazide
CID 470885
N'-(piperidine-4-carbonyl)piperidine-4-carbohydrazide
CID 470886
1-tert-butyl-N'-(3,3,3-trifluoropropanoyl)piperidine-4-carbohydrazide
CID 91248972
N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
CID 143394750
N'-(3,3,3-trifluoropropyl)piperidine-4-carbohydrazide
CID 153733880
1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 154662946
1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 154662947
1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 154662953
4-Piperidinecarboxylic acid 2-isopropylhydrazide
CID 574445
1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide
CID 55213669
3-[4-(Trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545604

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide (CID 154015498) is N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide?
The InChIKey is RCSKXRDKEHTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15)(H,14,16).
What are the key properties of N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide?
N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide has a molecular weight of 239.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 154015498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).