N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide

C20H36N6O5 — CID 129127303

IUPACN-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)COCC(=O)N2CCN(CCNC(C)=O)CC2)CC1
InChIInChI=1S/C20H36N6O5/c1-17(27)21-3-5-23-7-11-25(12-8-23)19(29)15-31-16-20(30)26-13-9-24(10-14-26)6-4-22-18(2)28/h3-16H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyWDQPEGGIHRLNGJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP-2.44
Rot. Bonds10

About N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 129127303) has the molecular formula C20H36N6O5 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide
PubChem CID129127303
Molecular FormulaC20H36N6O5
Molecular Weight440.55 g/mol
Exact Mass440.27
IUPAC NameN-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)COCC(=O)N2CCN(CCNC(C)=O)CC2)CC1
InChIInChI=1S/C20H36N6O5/c1-17(27)21-3-5-23-7-11-25(12-8-23)19(29)15-31-16-20(30)26-13-9-24(10-14-26)6-4-22-18(2)28/h3-16H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyWDQPEGGIHRLNGJ-UHFFFAOYSA-N
XLogP-2.44
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 5-2.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide (CID 129127303) is N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(=O)COCC(=O)N2CCN(CCNC(C)=O)CC2)CC1.
What is the InChIKey of N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is WDQPEGGIHRLNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O5/c1-17(27)21-3-5-23-7-11-25(12-8-23)19(29)15-31-16-20(30)26-13-9-24(10-14-26)6-4-22-18(2)28/h3-16H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 440.55 g/mol, XLogP of -2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[2-[4-(2-acetamidoethyl)piperazin-1-yl]-2-oxoethoxy]acetyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 129127303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).