2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate

C20H36N4O4 — CID 58135799

IUPAC2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
SMILESCN1CCC(N2CCN(C(=O)CCC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H36N4O4/c1-21-6-4-18(5-7-21)23-8-10-24(11-9-23)19(25)2-3-20(26)28-17-14-22-12-15-27-16-13-22/h18H,2-17H2,1H3
InChIKeyPEYWPRDDVDSBSI-UHFFFAOYSA-N
MW396.53 g/mol
LogP-0.12
Rot. Bonds7

About 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate

2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate (PubChem CID 58135799) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
PubChem CID58135799
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Name2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
SMILESCN1CCC(N2CCN(C(=O)CCC(=O)OCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H36N4O4/c1-21-6-4-18(5-7-21)23-8-10-24(11-9-23)19(25)2-3-20(26)28-17-14-22-12-15-27-16-13-22/h18H,2-17H2,1H3
InChIKeyPEYWPRDDVDSBSI-UHFFFAOYSA-N
XLogP-0.12
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate (CID 58135799) is 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate is CN1CCC(N2CCN(C(=O)CCC(=O)OCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
The InChIKey is PEYWPRDDVDSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-21-6-4-18(5-7-21)23-8-10-24(11-9-23)19(25)2-3-20(26)28-17-14-22-12-15-27-16-13-22/h18H,2-17H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate?
2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate has a molecular weight of 396.53 g/mol, XLogP of -0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 58135799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).