1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone

C17H32N4O3 — CID 129384992

IUPAC1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
SMILESCN1CCC(N2CCN(C(=O)COC[C@H]3COCCN3)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-19-5-2-16(3-6-19)20-7-9-21(10-8-20)17(22)14-24-13-15-12-23-11-4-18-15/h15-16,18H,2-14H2,1H3/t15-/m1/s1
InChIKeyRFBBAKXCRLCRGH-OAHLLOKOSA-N
MW340.47 g/mol
LogP-0.77
Rot. Bonds5

About 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone (PubChem CID 129384992) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
PubChem CID129384992
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
SMILESCN1CCC(N2CCN(C(=O)COC[C@H]3COCCN3)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-19-5-2-16(3-6-19)20-7-9-21(10-8-20)17(22)14-24-13-15-12-23-11-4-18-15/h15-16,18H,2-14H2,1H3/t15-/m1/s1
InChIKeyRFBBAKXCRLCRGH-OAHLLOKOSA-N
XLogP-0.77
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone (CID 129384992) is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone is CN1CCC(N2CCN(C(=O)COC[C@H]3COCCN3)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone?
The InChIKey is RFBBAKXCRLCRGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-19-5-2-16(3-6-19)20-7-9-21(10-8-20)17(22)14-24-13-15-12-23-11-4-18-15/h15-16,18H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone?
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone has a molecular weight of 340.47 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone is sourced from PubChem (CID 129384992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).