N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide

C29H30F3N3O — CID 58921319

IUPACN-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
SMILESC=C(C)N1CCC(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)CC1
InChIInChI=1S/C29H30F3N3O/c1-21(2)35-17-14-23(15-18-35)27(36)34-28(26-13-6-7-16-33-26,20-22-9-4-3-5-10-22)24-11-8-12-25(19-24)29(30,31)32/h3-13,16,19,23H,1,14-15,17-18,20H2,2H3,(H,34,36)
InChIKeyDWXVPCXVAJEJKL-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.95
Rot. Bonds7

About N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide

N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide (PubChem CID 58921319) has the molecular formula C29H30F3N3O and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
PubChem CID58921319
Molecular FormulaC29H30F3N3O
Molecular Weight493.57 g/mol
Exact Mass493.23
IUPAC NameN-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
SMILESC=C(C)N1CCC(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)CC1
InChIInChI=1S/C29H30F3N3O/c1-21(2)35-17-14-23(15-18-35)27(36)34-28(26-13-6-7-16-33-26,20-22-9-4-3-5-10-22)24-11-8-12-25(19-24)29(30,31)32/h3-13,16,19,23H,1,14-15,17-18,20H2,2H3,(H,34,36)
InChIKeyDWXVPCXVAJEJKL-UHFFFAOYSA-N
XLogP5.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
1-(4-cyanophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58921600
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58920992
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58920411
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 66934497
1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
CID 143473044
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea;ethane
CID 143473684

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide (CID 58921319) is N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide is C=C(C)N1CCC(C(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)CC1.
What is the InChIKey of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The InChIKey is DWXVPCXVAJEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O/c1-21(2)35-17-14-23(15-18-35)27(36)34-28(26-13-6-7-16-33-26,20-22-9-4-3-5-10-22)24-11-8-12-25(19-24)29(30,31)32/h3-13,16,19,23H,1,14-15,17-18,20H2,2H3,(H,34,36).
What are the key properties of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide?
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 58921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).