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

C16H30N4O2 — CID 139421870

IUPAC2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCN1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-17-4-2-15(3-5-17)19-8-6-18(7-9-19)14-16(21)20-10-12-22-13-11-20/h15H,2-14H2,1H3
InChIKeyXWGRRJGORDHUNR-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.44
Rot. Bonds3

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

2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 139421870) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID139421870
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCN1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-17-4-2-15(3-5-17)19-8-6-18(7-9-19)14-16(21)20-10-12-22-13-11-20/h15H,2-14H2,1H3
InChIKeyXWGRRJGORDHUNR-UHFFFAOYSA-N
XLogP-0.44
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 139421870) is 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is CN1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XWGRRJGORDHUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-17-4-2-15(3-5-17)19-8-6-18(7-9-19)14-16(21)20-10-12-22-13-11-20/h15H,2-14H2,1H3.
What are the key properties of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 310.44 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 139421870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).