1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide

C16H20F3N5O — CID 163533497

IUPAC1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide
SMILESNN=C(C=C(N)c1ccc(C(F)(F)F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)12-3-1-10(2-4-12)13(20)9-14(23-22)24-7-5-11(6-8-24)15(21)25/h1-4,9,11H,5-8,20,22H2,(H2,21,25)
InChIKeyXAGOKTRWWGECHL-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.47
Rot. Bonds3

About 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide

1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide (PubChem CID 163533497) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide
PubChem CID163533497
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide
SMILESNN=C(C=C(N)c1ccc(C(F)(F)F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20F3N5O/c17-16(18,19)12-3-1-10(2-4-12)13(20)9-14(23-22)24-7-5-11(6-8-24)15(21)25/h1-4,9,11H,5-8,20,22H2,(H2,21,25)
InChIKeyXAGOKTRWWGECHL-UHFFFAOYSA-N
XLogP1.47
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
CID 123254230
1-[2-[6-Oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetyl]piperidine-4-carboxamide
CID 129198198
N-[(E)-N-[2-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]-6-methylidene-1-pyridinyl]-C-methylcarbonimidoyl]cyclopropanecarboxamide
CID 143929822
N-[3-amino-3-(4-fluoro-2-methylphenyl)prop-2-enimidoyl]-4-piperidin-1-ylbutanamide
CID 173508387
N-[3-amino-3-(2-ethylphenyl)prop-2-enimidoyl]-4-piperidin-1-ylbutanamide
CID 154562063
N-[3-amino-3-(2,4-dimethylphenyl)prop-2-enimidoyl]-4-piperidin-1-ylbutanamide
CID 173508381
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide
CID 120257907
(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide
CID 120632279

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide (CID 163533497) is 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide is NN=C(C=C(N)c1ccc(C(F)(F)F)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide?
The InChIKey is XAGOKTRWWGECHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c17-16(18,19)12-3-1-10(2-4-12)13(20)9-14(23-22)24-7-5-11(6-8-24)15(21)25/h1-4,9,11H,5-8,20,22H2,(H2,21,25).
What are the key properties of 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide?
1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide is sourced from PubChem (CID 163533497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).