1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one

C19H33N3O3 — CID 45182196

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-20-10-12-21(13-11-20)18(23)4-3-16-5-8-22(9-6-16)19(24)17-7-14-25-15-17/h16-17H,2-15H2,1H3
InChIKeyFWGNROKUNRAQDR-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.21
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one (PubChem CID 45182196) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
PubChem CID45182196
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-20-10-12-21(13-11-20)18(23)4-3-16-5-8-22(9-6-16)19(24)17-7-14-25-15-17/h16-17H,2-15H2,1H3
InChIKeyFWGNROKUNRAQDR-UHFFFAOYSA-N
XLogP1.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one (CID 45182196) is 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)C3CCOC3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one?
The InChIKey is FWGNROKUNRAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-20-10-12-21(13-11-20)18(23)4-3-16-5-8-22(9-6-16)19(24)17-7-14-25-15-17/h16-17H,2-15H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one has a molecular weight of 351.49 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 45182196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).