N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide

C22H24ClN3O2 — CID 134044794

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H24ClN3O2/c23-17-8-11-20(25-12-3-4-13-25)19(15-17)24-22(28)16-6-9-18(10-7-16)26-14-2-1-5-21(26)27/h6-11,15H,1-5,12-14H2,(H,24,28)
InChIKeyRUEJMTXLKKBZBC-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.71
Rot. Bonds4

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 134044794) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID134044794
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H24ClN3O2/c23-17-8-11-20(25-12-3-4-13-25)19(15-17)24-22(28)16-6-9-18(10-7-16)26-14-2-1-5-21(26)27/h6-11,15H,1-5,12-14H2,(H,24,28)
InChIKeyRUEJMTXLKKBZBC-UHFFFAOYSA-N
XLogP4.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide (CID 134044794) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide is O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is RUEJMTXLKKBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-17-8-11-20(25-12-3-4-13-25)19(15-17)24-22(28)16-6-9-18(10-7-16)26-14-2-1-5-21(26)27/h6-11,15H,1-5,12-14H2,(H,24,28).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 134044794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).