N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide

C23H25F3N4O3 — CID 147407250

IUPACN-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(Cc1ccc(C2OC2NNC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)21(31)28-27-20-19(33-20)17-11-9-16(10-12-17)15-30(18-7-3-1-4-8-18)22(32)29-13-5-2-6-14-29/h1,3-4,7-12,19-20,27H,2,5-6,13-15H2,(H,28,31)
InChIKeyDPXGGGRQCIKTRG-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.88
Rot. Bonds6

About N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide

N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 147407250) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID147407250
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC NameN-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(Cc1ccc(C2OC2NNC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)21(31)28-27-20-19(33-20)17-11-9-16(10-12-17)15-30(18-7-3-1-4-8-18)22(32)29-13-5-2-6-14-29/h1,3-4,7-12,19-20,27H,2,5-6,13-15H2,(H,28,31)
InChIKeyDPXGGGRQCIKTRG-UHFFFAOYSA-N
XLogP3.88
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide (CID 147407250) is N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide is O=C(N1CCCCC1)N(Cc1ccc(C2OC2NNC(=O)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is DPXGGGRQCIKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c24-23(25,26)21(31)28-27-20-19(33-20)17-11-9-16(10-12-17)15-30(18-7-3-1-4-8-18)22(32)29-13-5-2-6-14-29/h1,3-4,7-12,19-20,27H,2,5-6,13-15H2,(H,28,31).
What are the key properties of N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide?
N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[3-[2-(2,2,2-trifluoroacetyl)hydrazinyl]oxiran-2-yl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 147407250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).