1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide

C17H21F3N4O2 — CID 123254230

IUPAC1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
SMILESCON/C(=N\C=C\N1CCC(C(N)=O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N4O2/c1-26-23-16(13-2-4-14(5-3-13)17(18,19)20)22-8-11-24-9-6-12(7-10-24)15(21)25/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,25)(H,22,23)/b11-8+
InChIKeyXQZIYNDXABBKCW-DHZHZOJOSA-N
MW370.38 g/mol
LogP2.27
Rot. Bonds5

About 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide

1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide (PubChem CID 123254230) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
PubChem CID123254230
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
SMILESCON/C(=N\C=C\N1CCC(C(N)=O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N4O2/c1-26-23-16(13-2-4-14(5-3-13)17(18,19)20)22-8-11-24-9-6-12(7-10-24)15(21)25/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,25)(H,22,23)/b11-8+
InChIKeyXQZIYNDXABBKCW-DHZHZOJOSA-N
XLogP2.27
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 139469215
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 153401296
4,4-Dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
CID 162346906
1-[3-Amino-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazonoyl]piperidine-4-carboxamide
CID 163533497
N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 175352798
N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
CID 177197071

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide (CID 123254230) is 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide is CON/C(=N\C=C\N1CCC(C(N)=O)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide?
The InChIKey is XQZIYNDXABBKCW-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-26-23-16(13-2-4-14(5-3-13)17(18,19)20)22-8-11-24-9-6-12(7-10-24)15(21)25/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,25)(H,22,23)/b11-8+.
What are the key properties of 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide?
1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide is sourced from PubChem (CID 123254230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).