bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

C21H40N6O3 — CID 151456189

IUPACbis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCN2CCOCC2)CC1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H40N6O3/c28-21(26-9-5-22(6-10-26)1-3-24-13-17-29-18-14-24)27-11-7-23(8-12-27)2-4-25-15-19-30-20-16-25/h1-20H2
InChIKeyPHMUFGOKWWBNNH-UHFFFAOYSA-N
MW424.59 g/mol
LogP-0.99
Rot. Bonds6

About bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 151456189) has the molecular formula C21H40N6O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID151456189
Molecular FormulaC21H40N6O3
Molecular Weight424.59 g/mol
Exact Mass424.32
IUPAC Namebis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCN2CCOCC2)CC1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H40N6O3/c28-21(26-9-5-22(6-10-26)1-3-24-13-17-29-18-14-24)27-11-7-23(8-12-27)2-4-25-15-19-30-20-16-25/h1-20H2
InChIKeyPHMUFGOKWWBNNH-UHFFFAOYSA-N
XLogP-0.99
TPSA54.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (CID 151456189) is bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is O=C(N1CCN(CCN2CCOCC2)CC1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is PHMUFGOKWWBNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N6O3/c28-21(26-9-5-22(6-10-26)1-3-24-13-17-29-18-14-24)27-11-7-23(8-12-27)2-4-25-15-19-30-20-16-25/h1-20H2.
What are the key properties of bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 424.59 g/mol, XLogP of -0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 151456189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).