1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione

C17H29FN4O2 — CID 155957076

IUPAC1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(CC2CCNCC2)CC1)N1CCC(F)CC1
InChIInChI=1S/C17H29FN4O2/c18-15-3-7-21(8-4-15)16(23)17(24)22-11-9-20(10-12-22)13-14-1-5-19-6-2-14/h14-15,19H,1-13H2
InChIKeyOCYWBQZGYUDFAK-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.09
Rot. Bonds2

About 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione

1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 155957076) has the molecular formula C17H29FN4O2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID155957076
Molecular FormulaC17H29FN4O2
Molecular Weight340.44 g/mol
Exact Mass340.23
IUPAC Name1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(CC2CCNCC2)CC1)N1CCC(F)CC1
InChIInChI=1S/C17H29FN4O2/c18-15-3-7-21(8-4-15)16(23)17(24)22-11-9-20(10-12-22)13-14-1-5-19-6-2-14/h14-15,19H,1-13H2
InChIKeyOCYWBQZGYUDFAK-UHFFFAOYSA-N
XLogP0.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione (CID 155957076) is 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCN(CC2CCNCC2)CC1)N1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is OCYWBQZGYUDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN4O2/c18-15-3-7-21(8-4-15)16(23)17(24)22-11-9-20(10-12-22)13-14-1-5-19-6-2-14/h14-15,19H,1-13H2.
What are the key properties of 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione?
1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 340.44 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 155957076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).