N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

C19H24Cl2N4O3 — CID 59764623

IUPACN-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-13(26)23-6-8-24(9-7-23)15-4-5-25(12-15)18(27)11-22-19(28)14-2-3-16(20)17(21)10-14/h2-3,10,15H,4-9,11-12H2,1H3,(H,22,28)
InChIKeyOZBZTPKUNUVGTB-UHFFFAOYSA-N
MW427.33 g/mol
LogP1.49
Rot. Bonds4

About N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 59764623) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID59764623
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC NameN-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-13(26)23-6-8-24(9-7-23)15-4-5-25(12-15)18(27)11-22-19(28)14-2-3-16(20)17(21)10-14/h2-3,10,15H,4-9,11-12H2,1H3,(H,22,28)
InChIKeyOZBZTPKUNUVGTB-UHFFFAOYSA-N
XLogP1.49
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (CID 59764623) is N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is CC(=O)N1CCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is OZBZTPKUNUVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3/c1-13(26)23-6-8-24(9-7-23)15-4-5-25(12-15)18(27)11-22-19(28)14-2-3-16(20)17(21)10-14/h2-3,10,15H,4-9,11-12H2,1H3,(H,22,28).
What are the key properties of N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 427.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 59764623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).