N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide

C26H31N3O5 — CID 2968694

IUPACN-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1
InChIInChI=1S/C26H31N3O5/c1-33-22-9-5-19(6-10-22)16-27-26(32)20-15-24(30)29(17-20)21-7-11-23(12-8-21)34-18-25(31)28-13-3-2-4-14-28/h5-12,20H,2-4,13-18H2,1H3,(H,27,32)
InChIKeyHUBOBAVFAQXFDN-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.76
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2968694) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID2968694
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1
InChIInChI=1S/C26H31N3O5/c1-33-22-9-5-19(6-10-22)16-27-26(32)20-15-24(30)29(17-20)21-7-11-23(12-8-21)34-18-25(31)28-13-3-2-4-14-28/h5-12,20H,2-4,13-18H2,1H3,(H,27,32)
InChIKeyHUBOBAVFAQXFDN-UHFFFAOYSA-N
XLogP2.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide (CID 2968694) is N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HUBOBAVFAQXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-33-22-9-5-19(6-10-22)16-27-26(32)20-15-24(30)29(17-20)21-7-11-23(12-8-21)34-18-25(31)28-13-3-2-4-14-28/h5-12,20H,2-4,13-18H2,1H3,(H,27,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-oxo-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2968694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).