ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone

C17H35N3O — CID 166101358

IUPACethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone
SMILESCC.CCN1CCC(CC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C15H29N3O.C2H6/c1-3-16-7-5-14(6-8-16)13-15(19)18-11-9-17(4-2)10-12-18;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyOECNPPADPIZCAP-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.30
Rot. Bonds4

About ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone

ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone (PubChem CID 166101358) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone
PubChem CID166101358
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Nameethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone
SMILESCC.CCN1CCC(CC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C15H29N3O.C2H6/c1-3-16-7-5-14(6-8-16)13-15(19)18-11-9-17(4-2)10-12-18;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyOECNPPADPIZCAP-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone?
The IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone (CID 166101358) is ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone.
What is the SMILES notation for ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone?
The canonical SMILES for ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone is CC.CCN1CCC(CC(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone?
The InChIKey is OECNPPADPIZCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C2H6/c1-3-16-7-5-14(6-8-16)13-15(19)18-11-9-17(4-2)10-12-18;1-2/h14H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone?
ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone has a molecular weight of 297.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperazin-1-yl)-2-(1-ethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 166101358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).