1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide

C20H23F3N2O2 — CID 166412820

IUPAC1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2CC(c3ccc(C(F)(F)F)cc3)C2)C1
InChIInChI=1S/C20H23F3N2O2/c1-2-18(26)25-9-3-4-14(12-25)19(27)24-17-10-15(11-17)13-5-7-16(8-6-13)20(21,22)23/h2,5-8,14-15,17H,1,3-4,9-12H2,(H,24,27)
InChIKeyQGHBEPWQPJXRNN-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.49
Rot. Bonds4

About 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide

1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide (PubChem CID 166412820) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide
PubChem CID166412820
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2CC(c3ccc(C(F)(F)F)cc3)C2)C1
InChIInChI=1S/C20H23F3N2O2/c1-2-18(26)25-9-3-4-14(12-25)19(27)24-17-10-15(11-17)13-5-7-16(8-6-13)20(21,22)23/h2,5-8,14-15,17H,1,3-4,9-12H2,(H,24,27)
InChIKeyQGHBEPWQPJXRNN-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]prop-2-en-1-one
CID 155353379
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895
1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidin-1-yl]prop-2-en-1-one
CID 171093096
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416109
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
N-(3-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413013
N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413014
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411407
1-[3-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167535153
1-pyrrolidin-1-ylprop-2-en-1-one;[4-(trifluoromethyl)phenyl]methanamine
CID 155732722
1-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171093114
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide?
The IUPAC name of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide (CID 166412820) is 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide?
The canonical SMILES for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC2CC(c3ccc(C(F)(F)F)cc3)C2)C1.
What is the InChIKey of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide?
The InChIKey is QGHBEPWQPJXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-18(26)25-9-3-4-14(12-25)19(27)24-17-10-15(11-17)13-5-7-16(8-6-13)20(21,22)23/h2,5-8,14-15,17H,1,3-4,9-12H2,(H,24,27).
What are the key properties of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide?
1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide is sourced from PubChem (CID 166412820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).