6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride

C16H22ClFN4O3 — CID 172609759

IUPAC6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1C=CC(N2CCNCC2)=CC1(F)C1CCC(=O)NC1=O
InChIInChI=1S/C16H21FN4O3.ClH/c17-16(12-3-4-13(22)20-15(12)24)9-10(1-2-11(16)14(18)23)21-7-5-19-6-8-21;/h1-2,9,11-12,19H,3-8H2,(H2,18,23)(H,20,22,24);1H
InChIKeyHPTAEIVKIHLKHP-UHFFFAOYSA-N
MW372.83 g/mol
LogP-0.37
Rot. Bonds3

About 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride

6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride (PubChem CID 172609759) has the molecular formula C16H22ClFN4O3 and a molecular weight of 372.83 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride
PubChem CID172609759
Molecular FormulaC16H22ClFN4O3
Molecular Weight372.83 g/mol
Exact Mass372.14
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1C=CC(N2CCNCC2)=CC1(F)C1CCC(=O)NC1=O
InChIInChI=1S/C16H21FN4O3.ClH/c17-16(12-3-4-13(22)20-15(12)24)9-10(1-2-11(16)14(18)23)21-7-5-19-6-8-21;/h1-2,9,11-12,19H,3-8H2,(H2,18,23)(H,20,22,24);1H
InChIKeyHPTAEIVKIHLKHP-UHFFFAOYSA-N
XLogP-0.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride (CID 172609759) is 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride is Cl.NC(=O)C1C=CC(N2CCNCC2)=CC1(F)C1CCC(=O)NC1=O.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride?
The InChIKey is HPTAEIVKIHLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3.ClH/c17-16(12-3-4-13(22)20-15(12)24)9-10(1-2-11(16)14(18)23)21-7-5-19-6-8-21;/h1-2,9,11-12,19H,3-8H2,(H2,18,23)(H,20,22,24);1H.
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride?
6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride has a molecular weight of 372.83 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride is sourced from PubChem (CID 172609759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).