N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C24H27F3N4O2 — CID 59764794

IUPACN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)19-6-10-28-21(14-19)23(33)29-15-22(32)31-13-9-20(16-31)30-11-7-18(8-12-30)17-4-2-1-3-5-17/h1-6,10,14,18,20H,7-9,11-13,15-16H2,(H,29,33)
InChIKeyANWDUQXRAHIVBU-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.31
Rot. Bonds5

About N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 59764794) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID59764794
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)19-6-10-28-21(14-19)23(33)29-15-22(32)31-13-9-20(16-31)30-11-7-18(8-12-30)17-4-2-1-3-5-17/h1-6,10,14,18,20H,7-9,11-13,15-16H2,(H,29,33)
InChIKeyANWDUQXRAHIVBU-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 59764809
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide
CID 59764888
2,4-dichloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 59764745
methyl 4-[[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]carbamoyl]benzoate
CID 59764913
2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone
CID 59764758
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764905
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 59764794) is N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ANWDUQXRAHIVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c25-24(26,27)19-6-10-28-21(14-19)23(33)29-15-22(32)31-13-9-20(16-31)30-11-7-18(8-12-30)17-4-2-1-3-5-17/h1-6,10,14,18,20H,7-9,11-13,15-16H2,(H,29,33).
What are the key properties of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59764794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).