ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate

C20H34N4O5 — CID 55506082

IUPACethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C1
InChIInChI=1S/C20H34N4O5/c1-2-29-20(27)17-4-3-5-24(14-17)19(26)16-21-6-8-23(9-7-21)18(25)15-22-10-12-28-13-11-22/h17H,2-16H2,1H3
InChIKeyKESABAVHUGXGDV-UHFFFAOYSA-N
MW410.52 g/mol
LogP-0.74
Rot. Bonds6

About ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate (PubChem CID 55506082) has the molecular formula C20H34N4O5 and a molecular weight of 410.52 g/mol. Its IUPAC name is ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
PubChem CID55506082
Molecular FormulaC20H34N4O5
Molecular Weight410.52 g/mol
Exact Mass410.25
IUPAC Nameethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C1
InChIInChI=1S/C20H34N4O5/c1-2-29-20(27)17-4-3-5-24(14-17)19(26)16-21-6-8-23(9-7-21)18(25)15-22-10-12-28-13-11-22/h17H,2-16H2,1H3
InChIKeyKESABAVHUGXGDV-UHFFFAOYSA-N
XLogP-0.74
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55505863
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate (CID 55506082) is ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C1.
What is the InChIKey of ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is KESABAVHUGXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O5/c1-2-29-20(27)17-4-3-5-24(14-17)19(26)16-21-6-8-23(9-7-21)18(25)15-22-10-12-28-13-11-22/h17H,2-16H2,1H3.
What are the key properties of ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 410.52 g/mol, XLogP of -0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 55506082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).