3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate

C19H34N4O4 — CID 58135828

IUPAC3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCN(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O4/c1-20-8-10-22(11-9-20)17-3-6-23(7-4-17)18(24)19(25)27-14-2-5-21-12-15-26-16-13-21/h17H,2-16H2,1H3
InChIKeyKXXCVKDYDUETFO-UHFFFAOYSA-N
MW382.51 g/mol
LogP-0.51
Rot. Bonds5

About 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate

3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate (PubChem CID 58135828) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
PubChem CID58135828
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Name3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCN(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O4/c1-20-8-10-22(11-9-20)17-3-6-23(7-4-17)18(24)19(25)27-14-2-5-21-12-15-26-16-13-21/h17H,2-16H2,1H3
InChIKeyKXXCVKDYDUETFO-UHFFFAOYSA-N
XLogP-0.51
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone;oxalic acid
CID 16195115
2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
[2-(Dimethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135806
3-Morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135813
2-Piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135829
[2-(Dimethylamino)-2-oxoethyl] 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135830
2-Morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
CID 58135847
3-(2-Oxopiperidin-1-yl)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135849
3-(2-Oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
CID 58135851
(2-Oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135856
2-Morpholin-4-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58135865

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate (CID 58135828) is 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate is CN1CCN(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
The InChIKey is KXXCVKDYDUETFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-20-8-10-22(11-9-20)17-3-6-23(7-4-17)18(24)19(25)27-14-2-5-21-12-15-26-16-13-21/h17H,2-16H2,1H3.
What are the key properties of 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate?
3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 382.51 g/mol, XLogP of -0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 58135828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).