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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Related Compounds

N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
CID 155344343
N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155344254
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
(2S,4R)-N-methyl-1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45249945
1-[(3aR,7aR)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155344442
(2S,4S)-1-benzyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45223733
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate
CID 71204702
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
(2S,4R)-N-methyl-1-(naphthalen-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 118755358
(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 137340003
methyl (2S,4R)-1-benzyl-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-2-carboxylate
CID 118756224

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).