N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide

C18H22F3N3O2 — CID 155353601

IUPACN-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C(C(=O)NC)C1
InChIInChI=1S/C18H22F3N3O2/c1-3-16(25)23-14-8-9-24(15(10-14)17(26)22-2)11-12-4-6-13(7-5-12)18(19,20)21/h3-7,14-15H,1,8-11H2,2H3,(H,22,26)(H,23,25)
InChIKeyJHLGOZWRHWMCQA-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide

N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 155353601) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID155353601
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C(C(=O)NC)C1
InChIInChI=1S/C18H22F3N3O2/c1-3-16(25)23-14-8-9-24(15(10-14)17(26)22-2)11-12-4-6-13(7-5-12)18(19,20)21/h3-7,14-15H,1,8-11H2,2H3,(H,22,26)(H,23,25)
InChIKeyJHLGOZWRHWMCQA-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide (CID 155353601) is N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide is C=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C(C(=O)NC)C1.
What is the InChIKey of N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is JHLGOZWRHWMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-3-16(25)23-14-8-9-24(15(10-14)17(26)22-2)11-12-4-6-13(7-5-12)18(19,20)21/h3-7,14-15H,1,8-11H2,2H3,(H,22,26)(H,23,25).
What are the key properties of N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 155353601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).