2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C18H36N4O — CID 57442409

IUPAC2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-5-20(6-2)17-7-9-19(10-8-17)15-18(23)22-13-11-21(12-14-22)16(3)4/h16-17H,5-15H2,1-4H3
InChIKeyZIPVLMGZKHQLRA-UHFFFAOYSA-N
MW324.51 g/mol
LogP1.35
Rot. Bonds6

About 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442409) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442409
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-5-20(6-2)17-7-9-19(10-8-17)15-18(23)22-13-11-21(12-14-22)16(3)4/h16-17H,5-15H2,1-4H3
InChIKeyZIPVLMGZKHQLRA-UHFFFAOYSA-N
XLogP1.35
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442409) is 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CCN(CC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZIPVLMGZKHQLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-5-20(6-2)17-7-9-19(10-8-17)15-18(23)22-13-11-21(12-14-22)16(3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 324.51 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).