N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C28H34F3N3O2 — CID 515010

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CN1CC(F)(F)F
InChIInChI=1S/C28H34F3N3O2/c29-28(30,31)21-33-20-24(19-26(33)35)27(36)34(25-10-5-2-6-11-25)15-7-14-32-16-12-23(13-17-32)18-22-8-3-1-4-9-22/h1-6,8-11,23-24H,7,12-21H2
InChIKeyJTCPPDCVKQWJEV-UHFFFAOYSA-N
MW501.59 g/mol
LogP4.78
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 515010) has the molecular formula C28H34F3N3O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID515010
Molecular FormulaC28H34F3N3O2
Molecular Weight501.59 g/mol
Exact Mass501.26
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CN1CC(F)(F)F
InChIInChI=1S/C28H34F3N3O2/c29-28(30,31)21-33-20-24(19-26(33)35)27(36)34(25-10-5-2-6-11-25)15-7-14-32-16-12-23(13-17-32)18-22-8-3-1-4-9-22/h1-6,8-11,23-24H,7,12-21H2
InChIKeyJTCPPDCVKQWJEV-UHFFFAOYSA-N
XLogP4.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 515010) is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CN1CC(F)(F)F.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is JTCPPDCVKQWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O2/c29-28(30,31)21-33-20-24(19-26(33)35)27(36)34(25-10-5-2-6-11-25)15-7-14-32-16-12-23(13-17-32)18-22-8-3-1-4-9-22/h1-6,8-11,23-24H,7,12-21H2.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 515010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).