2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C24H27N3O3 — CID 56515108

IUPAC2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C24H27N3O3/c28-21-13-4-5-16-27(21)22(18-9-2-1-3-10-18)23(29)25-20-12-8-11-19(17-20)24(30)26-14-6-7-15-26/h1-3,8-12,17,22H,4-7,13-16H2,(H,25,29)
InChIKeyRBVBLBZNPYNCDA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 56515108) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID56515108
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C24H27N3O3/c28-21-13-4-5-16-27(21)22(18-9-2-1-3-10-18)23(29)25-20-12-8-11-19(17-20)24(30)26-14-6-7-15-26/h1-3,8-12,17,22H,4-7,13-16H2,(H,25,29)
InChIKeyRBVBLBZNPYNCDA-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 56515108) is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is RBVBLBZNPYNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21-13-4-5-16-27(21)22(18-9-2-1-3-10-18)23(29)25-20-12-8-11-19(17-20)24(30)26-14-6-7-15-26/h1-3,8-12,17,22H,4-7,13-16H2,(H,25,29).
What are the key properties of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 56515108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).