piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone

C17H19F3N2O2 — CID 143770990

IUPACpiperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone
SMILES[H]/N=C(/C=C(\OC)C(F)(F)F)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19F3N2O2/c1-24-15(17(18,19)20)11-14(21)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22/h5-8,11,21H,2-4,9-10H2,1H3/b15-11-,21-14-
InChIKeyAYSDKZCOEVDPNK-WDZPDTQSSA-N
MW340.35 g/mol
LogP3.77
Rot. Bonds4

About piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone

piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone (PubChem CID 143770990) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone
PubChem CID143770990
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Namepiperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone
SMILES[H]/N=C(/C=C(\OC)C(F)(F)F)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19F3N2O2/c1-24-15(17(18,19)20)11-14(21)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22/h5-8,11,21H,2-4,9-10H2,1H3/b15-11-,21-14-
InChIKeyAYSDKZCOEVDPNK-WDZPDTQSSA-N
XLogP3.77
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone (CID 143770990) is piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone is [H]/N=C(/C=C(\OC)C(F)(F)F)c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone?
The InChIKey is AYSDKZCOEVDPNK-WDZPDTQSSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-24-15(17(18,19)20)11-14(21)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22/h5-8,11,21H,2-4,9-10H2,1H3/b15-11-,21-14-.
What are the key properties of piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone?
piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone has a molecular weight of 340.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[(Z)-4,4,4-trifluoro-3-methoxybut-2-enimidoyl]phenyl]methanone is sourced from PubChem (CID 143770990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).