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

C25H28F3N3O2 — CID 59764809

IUPACN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)21-8-6-20(7-9-21)24(33)29-16-23(32)31-15-12-22(17-31)30-13-10-19(11-14-30)18-4-2-1-3-5-18/h1-9,19,22H,10-17H2,(H,29,33)
InChIKeyYHBSZZJDADPPDF-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 59764809) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID59764809
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)21-8-6-20(7-9-21)24(33)29-16-23(32)31-15-12-22(17-31)30-13-10-19(11-14-30)18-4-2-1-3-5-18/h1-9,19,22H,10-17H2,(H,29,33)
InChIKeyYHBSZZJDADPPDF-UHFFFAOYSA-N
XLogP3.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
methyl 4-[[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]carbamoyl]benzoate
CID 59764913
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 59764794
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
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
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-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide (CID 59764809) is N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YHBSZZJDADPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c26-25(27,28)21-8-6-20(7-9-21)24(33)29-16-23(32)31-15-12-22(17-31)30-13-10-19(11-14-30)18-4-2-1-3-5-18/h1-9,19,22H,10-17H2,(H,29,33).
What are the key properties of N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 459.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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)benzamide is sourced from PubChem (CID 59764809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).